AG003AF1

65355-35-3 | (trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-carbonitrile

AG003AF1

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CAS Number	65355-35-3
Catalog Number	AG003AF1(AGN-PC-0TGBQT)
Chemical Name	(trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-carbonitrile
EC Number	265-712-8
IUPAC Name	4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
InChI	InChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-16H,2-11H2,1H3
InChI Key	GPKWICXATIXXQY-UHFFFAOYSA-N
MDL Number	MFCD11053435
Molecular Formula	C16H27N
Molecular Weight	233.3923
SMILES	C(CC)[C@H]1CC[C@@H](CC1)[C@H]1CC[C@@H](CC1)C#N
Synonyms	65355-35-3, 4'-Propyl-bicyclohexyl-4-carbonitrile, (trans,trans)-4'-Propyl-[1,1'-bi(cyclohexane)]-4-carbonitrile, [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-, [trans(trans)]-4'-Propyl[1,1'-bicyclohexyl]-4-carbonitrile, (1,1'-Bicyclohexyl)-4-carbonitrile, 4'-propyl-, (trans,trans)-, (trans(trans))-4'-Propyl(1,1'-bicyclohexyl)-4-carbonitrile, EINECS 265-712-8, BAS 00294083, AC1L2UNF, AC1Q4RE0, TimTec1_008107, CCH-3, trans,trans-4'-Propyl-bicyclohexyl-4-carbonitrile, 4-Propyl-trans, trans-bicyclohexyl-4'-carbonitrile, 4-propyl-4'-cyanobicyclohexane, SCHEMBL7775173, SCHEMBL9471258, SCHEMBL9477252, SCHEMBL9855556, DTXSID1070305, SCHEMBL10481846, GPKWICXATIXXQY-UHFFFAOYSA-N, HMS1557A11, ZINC3042020, DT1932, MFCD11053435, AKOS000716376, ZINC100088343, ZINC263583962, ZINC263616037, 4-(4'-n-propylcyclohexyl)-cyanocyclohexane, Z5553, 4'-Propyl-1,1'-bicyclohexane-4-carbonitrile, 4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile, I14-4179, (trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-carbonitrile, 4'beta-Propyl-1beta,1'alpha-bicyclohexane-4alpha-carbonitrile, C16H27N, AR-1G4493, C16-H27-N, CID103365, (trans,trans)-4-propyl-[1,1-Bicyclohexyl]-4-carbonitrile, [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, [trans(trans)]-, 81-87-8,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.214g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.399g/mol
Monoisotopic Mass	233.214g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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