AG0032B9

93413-76-4 | 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile

AG0032B9

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CAS Number	93413-76-4
Catalog Number	AG0032B9(AGN-PC-0WAJL2)
Chemical Name	1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile
IUPAC Name	2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile
InChI	InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3
InChI Key	ASYJSBPNAIDUHX-UHFFFAOYSA-N
MDL Number	MFCD06658142
Molecular Formula	C15H19NO2
Molecular Weight	245.3169
SMILES	OC1(CCCCC1)C(C#N)C1=CC=C(C=C1)OC
Synonyms	93413-76-4, 2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile, 1-[Cyano-(p-methoxyphenyl)methyl]cyclohexanol, 131801-69-9, 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol, 1-[Cyano-(4-methoxyphenyl)methyl]cyclohexanol, 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile, 1-Hydroxycyclohexyl-(4-methoxyphenyl)acetonitrile, (1-Hydroxycyclohexyl)(4-methoxyphenyl)acetonitrile, 1-(hydrocyclohexyl)-(4-methoxyphenyl)acetonitrile, 1-Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile, (1-Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile, PubChem15651, ACMC-209v62, BEN676, SCHEMBL1671921, Jsp001922, CTK3I6684, ASYJSBPNAIDUHX-UHFFFAOYSA-N, BCP08873, Venlafaxine Hydroxy Nitrile Impurity, AC-572, ANW-44664, MFCD06658142, AKOS015889694, ACM131801699, AN-32250, AS-37928, C153, SC-22756, AX8016043, DB-017889, RT-018141, 1-[cyano(p-methoxyphenyl)methyl]cyclohexanol, 1[cyano-(4-methoxyphenvl)methyl]cyclohexanol, FT-0642243, ST24027427, 1-[cyano(4-methoxy-phenyl)methyl]cyclohexanol, 1-[cyano(4-methoxyphenyl) methyl]cyclohexanol, 1-[cyano(4-methoxyphenyl)-methyl]cyclohexanol, 1-[cyano(p-methoxy phenyl)methyl]cyclohexanol, 1-[cyano(p-methoxyphenyl)methyl] cyclohexanol, venflaxaine1-[cyano-(4-methoxyphenyl)methyl], 1-[cyano-(4-methoxy phenyl)methyl]cyclohexanol, 1-[Cyano-(4-methoxyphenyl)methyl]-cyclohexanol, 1-[cyano-(4-methoxyphenyl)methyl]cyclohexanolhcl, 801H699, I01-2538, J-006057, alpha(1-Hydroxycyclohexyl)-p-methoxyphenylacetonitrile, I14-40473, (1-hydroxy-cyclohexyl)-(4-methoxy-phenyl)-acetonitrile, 1-[(1-cyano)-1-(4-methoxyphenyl)methyl] cyclohexanol, alpha-(1-Hydroxycyclohexyl)-4-methoxybenzeneacetonitrile, 1-[2-amino-1-(4-methoxyphenyl)methyl]cyclohexanone (+), 1-[cyano-(4-methoxyphenyl)methyl]cyclohexanolhydrochloride, 2-(1-hydroxycyclohexyl)-2-(4-methoxy)benzene acetonitrile, Benzeneacetonitrile, |A-(1-hydroxycyclohexyl)-4-methoxy-, 2-Fluoro-4-formylpyridine, 1-[Cyano-methyl]cyclohexanol, cc-449, 1-[Cyano- methyl]cyclohexanol, CID9899621, H1303, 1-(cyano-(p-methoxyphenyl)methyl)cyclohexanol, 1-Hydroxycyclohexyl-4-methoxy phenyl acetonitrile, 1-(CYANO-(4-METHOXYPHENYL)ETHYL)CYCLOHEXANOL, |A-(1-Hydroxycyclohexyl)-4-methoxy-benzeneacetonitrile, |A-(p-Methoxyphenyl)-|A-(1-hydroxycyclohexyl)acetonitrile, 1-[Cyano-(4-methoxyphenyl)methyl]cyclohexanol /1-(4-METHOXYPHENYL)-2-AMINOETHYL CYCLOHEXANOL HYDROCHLORIDE,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.142g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.322g/mol
Monoisotopic Mass	245.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

Lot Number