Unclassified Organic Compounds

Bentonite, Acros Organics

CAS: 1302-78-9

D(+)-Xylose, 99+%, ACROS Organics™

CAS: 58-86-6 Molecular Formula: C5H10O5 Molecular Weight (g/mol): 150.13

Deoxycholic acid, sodium salt, 99%, extra pure, ACROS Organics™

CAS: 302-95-4 Molecular Formula: C24H39NaO4 Molecular Weight (g/mol): 414.562 MDL Number: MFCD00064139 InChI Key: FHHPUSMSKHSNKW-WGRCLTAPSA-M Synonym: sodium deoxycholate PubChem CID: 91810855 IUPAC Name: sodium;(4R)-4-[(3R,5R,8R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate SMILES: CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]

N-Acetyl-D-glucosamine, ≥98%, Alfa Aesar™

CAS: 7512-17-6 Molecular Formula: C8H15NO6 MDL Number: MFCD00136044

Alfa Aesar™ 1,1'-Oxybis(3,3,3-trifluoro-1-propanol) hemihydrate, 96%

CAS: 936107-87-8 Molecular Formula: C6H8F6O3 Molecular Weight (g/mol): 242.117 MDL Number: MFCD00156074 InChI Key: MBQFJCIIFZJMTG-UHFFFAOYSA-N Synonym: 3,3,3-trifluoropropionaldehyde hemihydrate, 1,1'-oxybis 3,3,3-trifluoro-1-propanol hemihydrate PubChem CID: 16222109 IUPAC Name: 3,3,3-trifluoro-1-(3,3,3-trifluoro-1-hydroxypropoxy)propan-1-ol SMILES: C(C(O)OC(CC(F)(F)F)O)C(F)(F)F

Alfa Aesar™ n-Butylmagnesium chloride, 1.5-2.5M in THF, packaged under Argon in resealable ChemSeal™ bottles

CAS: 693-04-9 Molecular Formula: C4H9ClMg Molecular Weight (g/mol): 116.871 MDL Number: MFCD00000475 InChI Key: QUXHCILOWRXCEO-UHFFFAOYSA-M Synonym: butylmagnesium chloride, magnesium, butylchloro, nbumgcl, bumgcl, butylmagnesiumchloride, n-butylmagnesium chloride, n-butyl-magnesium chloride, butylmagnesium chloride solution, butylmagnesium chloride solution, 2.0 m in diethyl ether, unii-4j83fgw852 PubChem CID: 101837 IUPAC Name: magnesium;butane;chloride SMILES: CCC[CH2-].[Mg+2].[Cl-]

N,N-Diethyl-p-phenylenediamine oxalate, 96%, ACROS Organics™

CAS: 62637-92-7 Molecular Formula: 0·5 C2H2O4 Molecular Weight (g/mol): 209.27 MDL Number: MFCD00070242

Creatine phosphate disodium salt tetrahydrate, 98+%, Alfa Aesar™

CAS: 71519-72-7 Molecular Formula: C4H8N3Na2O5P·4H2O MDL Number: MFCD00150192 Synonym: Sodium creatine phosphate dibasic tetrahydrate

Alfa Aesar™ 1-Boc-4-(methoxycarbonyl)pyrrolidine-3-carboxylic acid, 96%

CAS: 1210863-93-6 Molecular Formula: C12H19NO6 Molecular Weight (g/mol): 273.29 MDL Number: MFCD07781134 InChI Key: OHQXZMNJROMWMW-UHFFFAOYNA-N Synonym: 4-acetoxy-1-tert-butoxycarbonyl pyrrolidine-3-carboxylic acid, 1-boc-4-methoxycarbonyl pyrrolidine-3-carboxylic acid, pyrrolidine-1,3,4-tricarboxylic acid 1-tert-butyl 3-methyl diester, 4-acetyloxy-1-tert-butoxycarbonyl pyrrolidine-3-carboxylic acid PubChem CID: 45925717 IUPAC Name: 4-acetyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid SMILES: CC(=O)OC1CN(CC1C(=O)O)C(=O)OC(C)(C)C

Alfa Aesar™ (S)-4-Cyano-4'-(2-methylbutyl)biphenyl, 97%

CAS: 63799-11-1 Molecular Formula: C18H19N Molecular Weight (g/mol): 249.357 MDL Number: MFCD00192280 InChI Key: DNJQGRFZQMOYGM-AWEZNQCLSA-N Synonym: s-4'-2-methylbutyl-1,1'-biphenyl-4-carbonitrile, s-4-cyano-4'-2-methylbutyl biphenyl, 4-s-2-methylbutyl-4'-cyanobiphenyl, s-4'-2-methylbutyl 1,1'-biphenyl-4-carbonitrile, 4-4-2s-2-methylbutyl phenyl benzonitrile, 1,1'-biphenyl-4-carbonitrile,4'-2s-2-methylbutyl, 1,1'-biphenyl-4-carbonitrile, 4'-2s-2-methylbutyl, 4-cyano-4'-2-methylbut-1-yl biphenyl PubChem CID: 114240 IUPAC Name: 4-[4-[(2S)-2-methylbutyl]phenyl]benzonitrile SMILES: CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

tert-Butyl (R)-(+)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate, 95%, ACROS Organics™

CAS: 95715-87-0 Molecular Formula: C11H19NO4 Molecular Weight (g/mol): 229.28 MDL Number: MFCD00674064 InChI Key: PNJXYVJNOCLJLJ-QMMMGPOBSA-N Synonym: r-tert-butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylate, unii-upk623lv60, r-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester, tert-butyl 4r-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate, r-+-3-boc-2,2-dimethyloxazolidine-4-carboxaldehyde, tert-butyl r-+-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate, 3-oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, 4r, r-garner aldehyde, r-3-boc-4-formyl-2,2-dimethyl-1,3-oxazolidine, r---3-boc-2,2-dimethyloxazolidine-4-carboxaldehyde PubChem CID: 178792 IUPAC Name: tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate SMILES: CC1(N(C(CO1)C=O)C(=O)OC(C)(C)C)C

Alfa Aesar™ Carbenoxolone disodium salt, 97+%

CAS: 7421-40-1 Molecular Formula: C34H48Na2O7 Molecular Weight (g/mol): 614.731 MDL Number: MFCD00079043 InChI Key: BQENDLAVTKRQMS-UAKRJCBRSA-L Synonym: carbenoxolone disodium salt, disodium 3beta-3-3-carboxylatopropanoyl oxy-11-oxoolean-12-en-30-oate, disodium 4as,6as,6br,10s,12as,12br,14br-10-3-carboxylatopropanoyl oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1h-picene-2-carboxylate PubChem CID: 133687779 IUPAC Name: disodium;(2R,4aR,6aS,6aR,6bS,8aS,10R,12aR,14bS)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate SMILES: CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+]

Saxagliptin, Acros Organics™

CAS: 361442-04-8 Molecular Formula: C18H25N3O2 Molecular Weight (g/mol): 315.41 InChI Key: QGJUIPDUBHWZPV-GDUHWLJNSA-N Synonym: saxagliptin PubChem CID: 129317852 IUPAC Name: (1R,5R)-2-[2-amino-2-[(7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile SMILES: C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N

Alfa Aesar™ trans-3-(Benzyloxymethyl)cyclobutanol, 97%

CAS: 172324-65-1 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD06657677 InChI Key: KVQOEODTOJCIPA-UHFFFAOYSA-N Synonym: cis-3-benzyloxymethylcyclobutanol, trans-3-benzyloxymethylcyclobutanol, trans-3-benzyloxy methyl cyclobutanol, cis-3-benzyloxy methyl cyclobutanol, 1r,3r-3-benzyloxy methyl cyclobutanol, cyclobutanol,3-phenylmethoxy methyl-, cis, 3-benzyloxy methyl cyclobutan-1-ol, 1r,3r-3-benzyloxy methyl cyclobutan-1-ol PubChem CID: 10442570 IUPAC Name: 3-(phenylmethoxymethyl)cyclobutan-1-ol SMILES: C1C(CC1O)COCC2=CC=CC=C2

Alfa Aesar™ n-Butylmagnesium chloride, 1.5-2.5M in THF

CAS: 693-04-9 Molecular Formula: C4H9ClMg Molecular Weight (g/mol): 116.871 MDL Number: MFCD00000475 InChI Key: QUXHCILOWRXCEO-UHFFFAOYSA-M Synonym: butylmagnesium chloride, magnesium, butylchloro, nbumgcl, bumgcl, butylmagnesiumchloride, n-butylmagnesium chloride, n-butyl-magnesium chloride, butylmagnesium chloride solution, butylmagnesium chloride solution, 2.0 m in diethyl ether, unii-4j83fgw852 PubChem CID: 101837 IUPAC Name: magnesium;butane;chloride SMILES: CCC[CH2-].[Mg+2].[Cl-]

2-Methyl-2-phenylpropylmagnesium chloride, 0.5M solution in diethyl ether, AcroSeal™, Acros Organics

CAS: 35293-35-7 Molecular Formula: C10H13ClMg Molecular Weight (g/mol): 192.97 InChI Key: IYOKDPFKCXZKJU-UHFFFAOYSA-M Synonym: neophylmagnesium chloride, chloro 2-methyl-2-phenylpropyl magnesium, magnesium, chloro 2-methyl-2-phenylpropyl, 2-methyl-2-phenylpropylmagnesium chloride, 2-methyl-2-phenylpropylmagnesium chloride solution, neophyl magnesium chloride, bxkyfonhssflkr-uhfffaoysa-m, 2-methyl-2-phenylpropyl magnesium chloride, 2-methyl-2-phenyl-propanyl magnesium chloride, 2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether PubChem CID: 118802 IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride SMILES: CC(C)([CH2-])C1=CC=CC=C1.[Mg+2].[Cl-]

Alfa Aesar™ Poly(styrene sulfonic acid) sodium salt, M.W. 500,000

CAS: 25704-18-1 Molecular Formula: C8H10NaO3S Molecular Weight (g/mol): 209.215 MDL Number: MFCD00084449 InChI Key: ZDJUOHBZKYFKCA-UHFFFAOYSA-N Synonym: 4-styrenesulfonic acid sodium salt PubChem CID: 131675404 IUPAC Name: 4-ethenylbenzenesulfonic acid;molecular hydrogen;sodium SMILES: [HH].C=CC1=CC=C(C=C1)S(=O)(=O)O.[Na]

Alfa Aesar™ Fluorescein disodium salt hydrate

CAS: 518-47-8 Molecular Formula: C20H10Na2O5·xH2O MDL Number: MFCD00167039 Synonym: Acid Yellow 73; C.I. 45350

Copper(I) trifluoromethanesulfonate benzene complex, 90%, ACROS Organics™

CAS: 42152-46-5 Molecular Formula: C8H6Cu2F6O6S2 Molecular Weight (g/mol): 503.33 MDL Number: MFCD00043300 Synonym: Trifluoromethanesulfonic acid, copper(I) salt, benzene complex

Alfa Aesar™ Tetraethylammonium fluoride hydrate, 97%

CAS: 98330-04-2 Molecular Formula: C8H22FNO Molecular Weight (g/mol): 167.268 MDL Number: MFCD00149990 InChI Key: YEKUWOWHPVKTCQ-UHFFFAOYSA-M Synonym: tetraethylammonium fluoride hydrate, tetraethylammonium hydrate fluoride, tetraethylammoniumfluoridehydrate, acmc-209nvn, et4nf.h2o, tetraethylazanium fluoride hydrate, tetraethyl ammonium fluoride hydrate, ethanaminium, n,n,n-triethyl-, fluoride, monohydrate PubChem CID: 16211652 IUPAC Name: tetraethylazanium;fluoride;hydrate SMILES: CC[N+](CC)(CC)CC.O.[F-]

n-Butylethylmagnesium, 0.9M solution in heptane, AcroSeal™, Acros Organics

CAS: 62202-86-2 Molecular Formula: C6H14Mg Molecular Weight (g/mol): 110.48 MDL Number: MFCD00072569 InChI Key: YHNWUQFTJNJVNU-UHFFFAOYSA-N Synonym: magnesium, butylethyl, butylethylmagnesium, n-butylethylmagnesium, butyl ethyl magnesium, n-butyl ethyl magnesium, mvecfarlyqaunr-uhfffaoysa-n PubChem CID: 112818 IUPAC Name: magnesium;butane;ethane SMILES: C[CH2-].CCC[CH2-].[Mg+2]

D-Glucosamine hydrochloride, 98+%, ACROS Organics™

CAS: 66-84-2 Molecular Formula: C6H13NO5·HCl

Tripropylene glycol, 99%, pure, mixture of isomers, Acros Organics

CAS: 24800-44-0 Molecular Formula: C9H20O4 Molecular Weight (g/mol): 192.25

Alfa Aesar™ Bismuth 2-ethylhexanoate, typically 92%, in 2-ethylhexanoic acid

CAS: 67874-71-9 Molecular Formula: C24H48BiO6 Molecular Weight (g/mol): 641.622 MDL Number: MFCD00043803 InChI Key: MWXWNYHYPMRCHN-UHFFFAOYSA-N Synonym: 2-Ethylhexanoic acid bismuth salt PubChem CID: 131857451 IUPAC Name: bismuth;2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Bi]

2-(1H-Imidazol-1-yl)benzonitrile, ≥97%, Maybridge

CAS: 25373-49-3 Molecular Formula: C10H7N3 Molecular Weight (g/mol): 169.187 MDL Number: MFCD00127074 InChI Key: MNKBJOSIVSQUBI-UHFFFAOYSA-N Synonym: 2-1h-imidazol-1-yl benzonitrile, 2-1h-imidazol-1-yl benzenecarbonitrile, benzonitrile, 2-1h-imidazol-1-yl, 2-1-imidazolyl benzonitrile, 2-imidazol-1-yl benzonitrile, 2-imidazolylbenzenecarbonitrile, 1-2-cyanophenyl imidazole, benzonitrile, o-imidazol-1-yl, acmc-1ck5o, 1-2-cyanophenyl-imidazole PubChem CID: 190275 IUPAC Name: 2-imidazol-1-ylbenzonitrile SMILES: C1=CC=C(C(=C1)C#N)N2C=CN=C2

Coenzyme A Trihydrate, Free Acid, Affymetrix/USB™

CAS: 85-61-0 Molecular Formula: C21H36N7O16P3S Molecular Weight (g/mol): 767.533 MDL Number: MFCD0679839 InChI Key: RGJOEKWQDUBAIZ-RXPJKXIYSA-N Synonym: coenzymea, coenzyme a PubChem CID: 133639590 IUPAC Name: [[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O

Alfa Aesar™ Silver(I) tetraborate hydrate, 99%

CAS: 12271-95-3 Molecular Formula: Ag2B4O7·xH2O MDL Number: MFCD25372549 Synonym: Disilver tetraborate hydrate; Boron silver oxide hydrate

3-Aminopropionitrile fumarate, 99+%, ACROS Organics™

CAS: 2079-89-2 Molecular Formula: 0·5 C4H4O4 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00078321

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