AG003E91

61203-99-4 | trans-4-(4-Propylcyclohexyl)benzonitrile

AG003E91

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CAS Number	61203-99-4
Catalog Number	AG003E91(AGN-PC-0ODANE)
Chemical Name	trans-4-(4-Propylcyclohexyl)benzonitrile
EC Number	262-654-5
IUPAC Name	4-(4-propylcyclohexyl)benzonitrile
InChI	InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
InChI Key	XXUSEPRYHRDKFV-UHFFFAOYSA-N
MDL Number	MFCD04038799
Molecular Formula	C16H21N
Molecular Weight	227.3446
SMILES	N#CC1=CC=C([C@H]2CC[C@H](CCC)CC2)C=C1
Synonyms	61203-99-4, 4-(trans-4-Propylcyclohexyl)benzonitrile, 4-(4-Propylcyclohexyl)benzonitrile, trans-4-(4-Propylcyclohexyl)benzonitrile, 313552-83-9, 1-Cyano-4-(trans-4-propylcyclohexyl)benzene, 4-(TRANS-4'-N-PROPYLCYCLOHEXYL)BENZONITRILE, Benzonitrile, 4-(trans-4-propylcyclohexyl)-, 4-((1s,4r)-4-propylcyclohexyl)benzonitrile, 4-(4-propylcyclohexyl)benzenecarbonitrile, EINECS 262-654-5, trans-4-Propyl(4-cyanophenyl)cyclohexane, trans-4-(4-Propyl-cyclohexyl)-benzonitrile, ACMC-209mq4, AC1L35CD, AC1Q4RE3, 3-PCH, KSC496I7N, SCHEMBL261024, SCHEMBL1658450, SCHEMBL16133534, CTK3J6476, KS-00000NNV, EBD3251, XXUSEPRYHRDKFV-UHFFFAOYSA-N, 4-trans-propylcyclohexylcyanobenzene, ZINC1504545, 4-(4'-Propylcyclohexyl)benzonitrile, ANW-33722, CP-519, MFCD00804626, MFCD04038799, SBB059443, 4-(4-n-Propylcyclohexyl)benzonitrile, 4-(4-Propylcyclohexyl)benzonitrile #, AKOS015839626, AKOS015917929, ZINC100003674, ZINC238809618, 1-cyano-4-(4-propylcyclohexyl)benzene, Benzonitrile, 4-(4-propylcyclohexyl)-, MCULE-5273882957, RL04312, RTR-021085, TRA0047881, VZ27962, ACM313552839, AJ-26425, AK-50750, AN-29015, AN-39332, CJ-05121, CJ-23745, DS-15534, SC-58051, 4-(trans-4-propylcyclohexyl) benzonitrile, 4-(trans-4-N-Propylcyclohexyl)benzonitrile, DB-009031, DB-030458, Np(trans-4'-N-propylcyclohexyl)benzonitrile, TR-021085, trans-4-propyl-(4-cyanophenyl)-cyclohexane, 4-(4-n-Propylcyclohexyl)benzonitrile, 97%, EU-0000047, FT-0640736, FT-0749878, P1617, ST51044437, 4-(trans-4'-n-Propylcyclohexyl)benzo-nitrile, trans-4-(4'-n-Propylcyclohexyl)-benzonitrile, A24026, 203N994, 552P839, SR-01000388832, I14-9097, SR-01000388832-1, W-105180, Propyl 2-methyl-3-furyl disulphide; Propyl-(2-methyl-3-furyl)disulfide, 62788-03-8, trans-4- benzonitrile, 4- BENZONITRILE, propyl 2-methyl-3-furyl disulphide, Propyl-(2-methyl-3-furyl)disulfide, AR-1F6414, C16-H21-N, CID109061, ZINC01256532, 4-(trans-4-Ethylcyclohexyl)benzonitrile, Benzonitrile, 4-(4-propylcyclohexyl)-, trans-, trans-4-(4-Propylcyclohexyl)benzonitrile, 99% 1g, D-3-Hydroxy-2-amino-3-phenylpropionic acid monohydrate, 63834-44-6,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.167g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.351g/mol
Monoisotopic Mass	227.167g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number