AG00EAR6

61204-00-0 | TRANS-4-(4'-N-BUTYLCYCLOHEXYL)-BENZONITRILE

AG00EAR6

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CAS Number	61204-00-0
Catalog Number	AG00EAR6(AGN-PC-0ODANG)
Chemical Name	TRANS-4-(4'-N-BUTYLCYCLOHEXYL)-BENZONITRILE
EC Number	262-655-0
IUPAC Name	4-(4-butylcyclohexyl)benzonitrile
InChI	InChI=1S/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3
InChI Key	YYAVXASAKUOZJJ-UHFFFAOYSA-N
MDL Number	MFCD00799425
Molecular Formula	C17H23N
Molecular Weight	241.3712
SMILES	N#CC1=CC=C([C@H]2CC[C@H](CCCC)CC2)C=C1
Synonyms	61204-00-0, 4-(trans-4-butylcyclohexyl)benzonitrile, 4-(4-Butylcyclohexyl)benzonitrile, TRANS-4-(4'-N-BUTYLCYCLOHEXYL)-BENZONITRILE, p-(4-Butylcyclohexyl)benzonitrile, Benzonitrile, 4-(4-butylcyclohexyl)-, Benzonitrile, 4-(trans-4-butylcyclohexyl)-, 4-(TRANS-4-BUTYLCYCLOHEXYL)-BENZONITRILE, 62788-04-9, Benzonitrile,4-(trans-4-butylcyclohexyl)-, MFCD00799425, 4-(4-butylcyclohexyl)benzenecarbonitrile, EINECS 262-655-0, trans-4-(4-Butylcyclohexyl)benzonitrile, trans-4-Butyl-1-(4-cyanophenyl)cyclohexane, AC1L35CG, AC1Q4RE4, SCHEMBL4795700, SCHEMBL8375648, CTK2B2207, CTK5B2844, YYAVXASAKUOZJJ-UHFFFAOYSA-, YYAVXASAKUOZJJ-UHFFFAOYSA-N, ZINC2569895, 4-(4-Butylcyclohexyl)benzonitrile #, SBB059232, AKOS015917930, AKOS022179380, ZINC100003519, ZINC238809666, CB-2072, MCULE-5686577790, RL04313, KS-00000H75, AJ-41792, AK-50751, DS-15535, trans-4-(4-n-Butylcyclohexyl)benzonitrile, trans-4-(4'-N-Butylcyclohexyl)benzonitrile, 4-((1s,4r)-4-butylcyclohexyl)benzonitrile, 4-(trans-4-Butylcyclohexyl)-1-cyanobenzene, FT-0688773, ST51044329, I14-9098, W-105179, TRANS-4-(4\'-N-BUTYLCYCLOHEXYL)-BENZONITRILE, InChI=1/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3, 4- BENZONITRILE, C17H23N, AR-1K9554, C17-H23-N, CID109062, B4924, Benzonitrile, 4-(4-butylcyclohexyl)-, trans-, 70655-40-2,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.183g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.378g/mol
Monoisotopic Mass	241.183g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number