CAS: 96-09-3 Molecular Formula: C₈H₈O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00005121 InChI Key: AWMVMTVKBNGEAK-UHFFFAOYSA-N Synonym: phenethylene oxide, 1-phenyloxirane, oxirane, phenyl, styryl oxide, styrene epoxide, epoxystyrene, phenylethylene oxide, 1,2-epoxyethylbenzene, phenyloxirane, styrene oxide PubChem CID: 7276 ChEBI: CHEBI:17907 IUPAC Name: 2-phenyloxirane SMILES: C1C(O1)C2=CC=CC=C2

CAS: 303136-82-5 Molecular Formula: C14H12N2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00150062 InChI Key: IYRGXJIJGHOCFS-UHFFFAOYSA-N Synonym: neocuproine hydrochloride trihydrate, 98 %, neocuproine hydrochloride hydrate 98, neocuproinehydrochloridemonohydrate, neocuproine hydrochloride hydrate, 2,9-dimethyl-1,10-phenanthroline hydrate hydrochloride, c14h12n2.hcl.h2o, neocuproine hydrate hydrochloride, neocuproine hydrochloride monohydrate, 2,9-dimethyl-1,10-phenanthroline hydrochloride hydrate, 2,9-dimethyl-1,10-phenanthroline hydrochloride monohydrate PubChem CID: 2723838 IUPAC Name: 2,9-dimethyl-1,10-phenanthroline;hydrate;hydrochloride SMILES: CC1=CC=C2C=CC3=CC=C(C)N=C3C2=N1

CAS: 73-31-4 Molecular Formula: C₁₃H₁₆N₂O₂ Molecular Weight (g/mol): 232.28 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melovine, melatonex, melatol, n-2-5-methoxy-1h-indol-3-yl ethyl acetamide, 5-methoxy-n-acetyltryptamine, circadin, n-acetyl-5-methoxytryptamine, melatonine, melatonin PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

CAS: 123-91-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00006571 InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N Synonym: tetrahydro-p-dioxin, di ethylene oxide, dioxanne, diethylene dioxide, 1,4-dioxacyclohexane, dioxan, diethylene ether, 1,4-diethylene dioxide, p-dioxane, dioxane PubChem CID: 31275 ChEBI: CHEBI:47032 IUPAC Name: 1,4-dioxane SMILES: C1COCCO1

CAS: 59016-56-7 Molecular Formula: C8H10BF4N3 Molecular Weight (g/mol): 234.99 MDL Number: MFCD00011998 InChI Key: MBLVMDCQDCVKNE-UHFFFAOYSA-N Synonym: n-cyano-4-dimethylamino-pyridinium tetrafluoroborate, 1-cyano-4-dimethylaminopyridinium tetra-fluoroborate, n-cyano-4-dimethylaminopyridinium tetrafluoroborate, acmc-209m9a, pubchem17735, 1-cyano-4-dimethylamino-pyridinium tetrafluoroborate, unii-p4w72066jt, 1-cyano-4-dimethylamino pyridin-1-ium tetrafluoroborate, 1-cyano-4-dimethylamino pyridinium tetrafluoroborate, cdap PubChem CID: 9881151 IUPAC Name: 4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N

CAS: 130-95-0 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00198096 InChI Key: LOUPRKONTZGTKE-ZCXAXGJJNA-N Synonym: +-2,3-o-isopropylidene-l-threitol, quinine anhydrous, 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol PubChem CID: 129316724 IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol SMILES: [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

CAS: 110-00-9 Molecular Formula: C4H4O Molecular Weight (g/mol): 68.08 MDL Number: MFCD00003222 InChI Key: YLQBMQCUIZJEEH-UHFFFAOYSA-N Synonym: furfurane, rcra waste number u124, axole, 1,4-epoxy-1,3-butadiene, furane, oxacyclopentadiene, oxole, tetrole, furfuran, divinylene oxide PubChem CID: 8029 ChEBI: CHEBI:35559 IUPAC Name: furan SMILES: O1C=CC=C1

CAS: 872-50-4 Molecular Formula: C5H9NO Molecular Weight (g/mol): 99.133 MDL Number: MFCD00003193 InChI Key: SECXISVLQFMRJM-UHFFFAOYSA-N Synonym: 2-pyrrolidinone, 1-methyl, 1-methylpyrrolidinone, n-methylpyrrolidinone, n-methyl-2-pyrrolidinone, m-pyrol, methylpyrrolidone, 1-methyl-2-pyrrolidone, n-methylpyrrolidone, n-methyl-2-pyrrolidone, 1-methyl-2-pyrrolidinone PubChem CID: 13387 ChEBI: CHEBI:7307 IUPAC Name: 1-methylpyrrolidin-2-one SMILES: CN1CCCC1=O

CAS: 128-08-5 MDL Number: MFCD00005510 InChI Key: PCLIMKBDDGJMGD-UHFFFAOYSA-N Synonym: n-bromo succinimide, nbs, bromosuccinimide, 1-bromo-2,5-pyrrolidinedione, 2,5-pyrrolidinedione, 1-bromo, n-bromosuccimide, succinibromimide, succinbromide, succinbromimide, n-bromosuccinimide PubChem CID: 67184 ChEBI: CHEBI:53174 IUPAC Name: 1-bromopyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)Br

CAS: 123-91-1 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00006571 InChI Key: RYHBNJHYFVUHQT-UHFFFAOYSA-N Synonym: tetrahydro-p-dioxin, di ethylene oxide, dioxanne, diethylene dioxide, 1,4-dioxacyclohexane, dioxan, diethylene ether, 1,4-diethylene dioxide, p-dioxane, dioxane PubChem CID: 31275 ChEBI: CHEBI:47032 IUPAC Name: 1,4-dioxane SMILES: C1COCCO1

CAS: 6019-06-3 Molecular Weight (g/mol): 498.44 MDL Number: MFCD00150899 InChI Key: LDMPZNTVIGIREC-HYRPJEHINA-N Synonym: (-)-Nicotine di-(+)-hydrogen tartrate dihydrate IUPAC Name: N-{3-[(2Z)-5-chloro-2,3-dihydro-1,3-benzoxazol-2-ylidene]-4-oxocyclohexa-1,5-dien-1-yl}-2-methylpropanamide SMILES: O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCC[C@H]1C1=CN=CC=C1

CAS: 7291-22-7 Molecular Formula: C5H5N Molecular Weight (g/mol): 84.13 MDL Number: MFCD00044639 InChI Key: JUJWROOIHBZHMG-RALIUCGRSA-N Synonym: de85c, ∼2∼h_5_ pyridine, pyridine, perdeutero, pyridine,crude,light, pyridine d5, 2 h? pyridine, c5d5n, 2h5 pyridine, pyridine-d5 PubChem CID: 558519 IUPAC Name: 2,3,4,5,6-pentadeuteriopyridine SMILES: [2H]C1=NC([2H])=C([2H])C([2H])=C1[2H]

CAS: 1122-58-3 MDL Number: MFCD00006418 InChI Key: VHYFNPMBLIVWCW-UHFFFAOYSA-N Synonym: dimethylpyridin-4-ylamine, ccris 6176, pyridine, 4-dimethylamino, p-dimethylaminopyridine, n,n-dimethyl-4-pyridinamine, 4-pyridinamine, n,n-dimethyl, 4-dimethylamino pyridine, dmap, 4-dimethylaminopyridine PubChem CID: 14284 IUPAC Name: N,N-dimethylpyridin-4-amine SMILES: CN(C)C1=CC=NC=C1

CAS: 7695-91-2 Molecular Formula: C₃₁H₅₂O₃ Molecular Weight (g/mol): 472.75 MDL Number: MFCD00072042 InChI Key: ZAKOWWREFLAJOT-CEFNRUSXSA-N Synonym: econ, ephynal acetate, tofaxin, contopheron, d-alpha-tocopherol acetate, ecofrol, alfacol, alpha-tocopherol acetate, tocopherol acetate, vitamin e acetate PubChem CID: 86472 ChEBI: CHEBI:32321 IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate SMILES: CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C

CAS: 4023-02-3 Molecular Formula: C₄H₆N₄·HCl Molecular Weight (g/mol): 146.58 MDL Number: MFCD00210087 InChI Key: UCQFSGCWHRTMGG-UHFFFAOYSA-N Synonym: 1h-pyrazole-1-carboxamidine hcl, praxadine hydrochloride, 1h-pyrazole-1-carboxamidinehydrochloride, pyrazole-1-carboxamidine hcl, pyrazole-1-carboximidamide hydrochloride, pyrazole-1-carboxamidine hydrochloride, praxadine, 1-amidinopyrazole hydrochloride, 1h-pyrazole-1-carboximidamide hydrochloride, 1h-pyrazole-1-carboxamidine hydrochloride PubChem CID: 2734672

CAS: 518-47-8 Molecular Formula: C20H10Na2O5 Molecular Weight (g/mol): 376.28 MDL Number: MFCD00167039 InChI Key: NJDNXYGOVLYJHP-UHFFFAOYSA-L IUPAC Name: disodium 2-(6-oxido-3-oxo-3H-xanthen-9-yl)benzoate SMILES: [Na+].[Na+].[O-]C(=O)C1=CC=CC=C1C1=C2C=CC(=O)C=C2OC2=CC([O-])=CC=C12

CAS: 1484-13-5 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00004966,MFCD00134336 InChI Key: KKFHAJHLJHVUDM-UHFFFAOYSA-N Synonym: poly-n-vinylcarbazole, carbazole, 9-vinyl, poly 9-vinylcarbazole, 1-vinylcarbazole, vinylcarbazole, n-vinyl carbazole, 9h-carbazole, 9-ethenyl, 9-vinyl-9h-carbazole, n-vinylcarbazole, 9-vinylcarbazole PubChem CID: 15143 IUPAC Name: 9-ethenylcarbazole SMILES: C=CN1C2=C(C=CC=C2)C2=C1C=CC=C2

CAS: 75-56-9 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00005126 InChI Key: GOOHAUXETOMSMM-UHFFFAOYNA-N Synonym: 2,3-epoxypropane, propylene epoxide, 1,2-propylene oxide, oxirane, methyl, propene oxide, propyleneoxide, epoxypropane, methyloxirane, 1,2-epoxypropane, propylene oxide PubChem CID: 6378 ChEBI: CHEBI:38685 IUPAC Name: 2-methyloxirane SMILES: CC1CO1

CAS: 3326-71-4 MDL Number: MFCD00003235 InChI Key: SKTSVWWOAIAIKI-UHFFFAOYSA-N Synonym: 2-furylcarbonylhydrazide, 2-furoylhydrazine, 2-furoic acid, hydrazide, furoic acid, hydrazide, 2-furoylhydrazide, 2-furancarbohydrazide, furoylhydrazide, 2-furohydrazide, 2-furoic hydrazide, 2-furoic acid hydrazide PubChem CID: 18731 IUPAC Name: furan-2-carbohydrazide SMILES: C1=COC(=C1)C(=O)NN

CAS: 1107-00-2 Molecular Formula: C19H6F6O6 Molecular Weight (g/mol): 444.241 MDL Number: MFCD00039143 InChI Key: QHHKLPCQTTWFSS-UHFFFAOYSA-N Synonym: 2,2'-bis-3,4-dicarboxyphenyl hexafluoropropane dianhydride, 5-2-1,3-dioxo-2-benzofuran-5-yl-1,1,1,3,3,3-hexafluoropropan-2-yl-2-benzofuran-1,3-dione, 2,2-bis 3,4-dicarboxyphenyl-1,1,1,3,3,3-hexafluoropropane dianhydride, 1,3-isobenzofurandione, 5,5'-2,2,2-trifluoro-1-trifluoromethyl ethylidene bis, 6fda, 4,4'-hexafluoroisopropylidene bis phthalic anhydride, 2,2-bis 3,4-anhydrodicarboxyphenyl hexafluoropropane, 5,5'-perfluoropropane-2,2-diyl bis isobenzofuran-1,3-dione, 4,4'-hexafluoroisopropylidene diphthalicanhydride, 4,4'-hexafluoroisopropylidene diphthalic anhydride PubChem CID: 70677 IUPAC Name: 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione SMILES: C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O

CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonym: flavaxin, beflavine, beflavin, --riboflavin, lactoflavine, vitamin g, riboflavine, lactoflavin, vitamin b2, riboflavin PubChem CID: 71310809 SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1

CAS: 92-61-5 Molecular Formula: C₁₀H₈O₄ Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006872 InChI Key: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: 6-o-methylesculetin, 7-hydroxy-6-methoxycoumarin, scopoletol, murrayetin, scopoletine, chrysatropic acid, 7-hydroxy-6-methoxy-2h-chromen-2-one, 6-methylesculetin, gelseminic acid, scopoletin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC Name: 7-hydroxy-6-methoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

CAS: 123-75-1 Molecular Formula: C4H10ClN Molecular Weight (g/mol): 107.58 MDL Number: MFCD00005249 InChI Key: FCLZCOCSZQNREK-UHFFFAOYSA-N Synonym: tetramethyleneimine, 1-azacyclopentane, prolamine, perhydropyrrole, butylenimine, tetramethylenimine, azolidine, azacyclopentane, tetrahydro pyrrole, tetrahydropyrrole PubChem CID: 31268 ChEBI: CHEBI:33135 SMILES: [H+].[Cl-].C1CCNC1

CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: unii-x954zll2rd, 4-hydroxy-chromen-2-one, 4-hydroxy-1-benzopyran-2-one, 4-hydroxy-2h-1-benzopyran-2-one, 2h-1-benzopyran-2-one, 4-hydroxy, coumarin, 4-hydroxy, benzotetronic acid, 4-hydroxy-2h-chromen-2-one, 4-coumarinol, 4-hydroxycoumarin PubChem CID: 54682930 ChEBI: CHEBI:40070 SMILES: OC1=CC(=O)C2=CC=CC=C2O1

CAS: 554-14-3 Molecular Formula: C₅H₆S Molecular Weight (g/mol): 98.16 MDL Number: MFCD00005451 InChI Key: XQQBUAPQHNYYRS-UHFFFAOYSA-N Synonym: pubchem5204, a-thiotolene, 2-methylthiacyclopentadiene, unii-7115jap77a, 2-methyl-thiophene, ccris 2936, alpha-methylthiophene, thiophene, methyl, 2-methyl thiophene, thiophene, 2-methyl PubChem CID: 11126 IUPAC Name: 2-methylthiophene SMILES: CC1=CC=CS1

CAS: 121-66-4 Molecular Formula: C3H3N3O2S Molecular Weight (g/mol): 145.14 MDL Number: MFCD00005326 InChI Key: MIHADVKEHAFNPG-UHFFFAOYSA-N Synonym: enheptin premix, 5-nitro-2-thiazolamine, enheptin-t, amnizol soluble, nitramin ido, 2-thiazolamine, 5-nitro, entramin, enheptin, 5-nitrothiazol-2-amine, 2-amino-5-nitrothiazole PubChem CID: 8486 ChEBI: CHEBI:82386 IUPAC Name: 5-nitro-1,3-thiazol-2-amine SMILES: NC1=NC=C(S1)[N+]([O-])=O

CAS: 1193-11-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00090841 InChI Key: ALTFLAPROMVXNX-UHFFFAOYNA-N PubChem CID: 62384 IUPAC Name: 2,2,4-trimethyl-1,3-dioxolane SMILES: CC1COC(C)(C)O1

CAS: 3326-32-7 Molecular Formula: C21H11NO5S Molecular Weight (g/mol): 389.381 MDL Number: MFCD00005063 InChI Key: MHMNJMPURVTYEJ-UHFFFAOYSA-N Synonym: 5-Isothiocyanato fluorescein, 5-FITC PubChem CID: 18730 ChEBI: CHEBI:37918 IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

CAS: 81-88-9 Molecular Formula: C28H31ClN2O3 Molecular Weight (g/mol): 479.02 MDL Number: MFCD00011931 InChI Key: PYWVYCXTNDRMGF-UHFFFAOYSA-N Synonym: C.I. 45170, Basic Violet 10 PubChem CID: 6694 ChEBI: CHEBI:52334 IUPAC Name: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chloride SMILES: [Cl-].CCN(CC)C1=CC2=[O+]C3=CC(=CC=C3C(C3=CC=CC=C3C(O)=O)=C2C=C1)N(CC)CC