AG003UXK

61204-01-1 | trans-4-(4-Pentylcyclohexyl)benzonitrile

AG003UXK

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CAS Number	61204-01-1
Catalog Number	AG003UXK(AGN-PC-0ODANI)
Chemical Name	trans-4-(4-Pentylcyclohexyl)benzonitrile
EC Number	262-656-6
IUPAC Name	4-(4-pentylcyclohexyl)benzonitrile
InChI	InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3
InChI Key	FURZYCFZFBYJBT-UHFFFAOYSA-N
MDL Number	MFCD00075548
Molecular Formula	C18H25N
Molecular Weight	255.3978
SMILES	N#CC1=CC=C([C@H]2CC[C@H](CCCCC)CC2)C=C1
Synonyms	61204-01-1, trans-4-(4-Pentylcyclohexyl)benzonitrile, 4-(trans-4-Pentylcyclohexyl)-benzonitrile, 4-(TRANS-4'-N-PENTYLCYCLOHEXYL)BENZONITRILE, 4-(trans-4-Pentylcyclohexyl)benzonitrile, 4-(trans-4-n-pentylcyclohexyl)benzonitrile, 4-(4-Pentylcyclohexyl)benzonitrile, Benzonitrile, 4-(trans-4-pentylcyclohexyl)-, 4-(trans-4-Amylcyclohexyl)benzonitrile, Benzonitrile, 4-(4-pentylcyclohexyl)-, 1-(trans-4-Amylcyclohexyl)-4-cyanobenzene, MFCD00075548, 86871-36-5, 306962-78-7, 4-(4-pentylcyclohexyl)benzenecarbonitrile, EINECS 262-656-6, trans-4-Pentyl(4-cyanophenyl)cyclohexane, ACMC-209mq5, AC1L35CJ, AC1Q4RE5, PCH-5, KSC490Q7L, SCHEMBL261023, SCHEMBL2370340, SCHEMBL13390072, SCHEMBL17447092, CTK1B3211, CTK3J0875, KS-00000NQS, FURZYCFZFBYJBT-JCNLHEQBSA-N, FURZYCFZFBYJBT-UHFFFAOYSA-N, p-(4-Pentylcyclohexyl)benzonitrile, ZINC2545389, ANW-33723, CP-100, SBB037879, 4-(4-Pentylcyclohexyl)benzonitrile #, AKOS015839696, AKOS022177569, ZINC100003424, ZINC238808931, RL04314, RTR-021086, TRA0073121, AJ-39311, AK-50752, AN-39333, CJ-09269, DS-15536, SC-58054, ST081381, DB-009054, TR-021086, 4-((1s,4r)-4-pentylcyclohexyl)benzonitrile, FT-0640737, Z5543, 4-(TRANS-PENTYLCYCLOHEXYL)BENZONITRILE, trans-4-(4'-n-Pentylcyclohexyl)-benzonitrile, 871N365, Cyclohexanecarbonitrile,4-(4-pentylphenyl)-,trans-, I01-1645, W-105178, 4-(trans-4-Pentylcyclohexyl)benzonitrile, 99%, liquid crystal (nematic), 62788-05-0, trans-4- benzonitrile, C18H25N, AR-1F6409, C18-H25-N, CID109063, trans-4-pentylcyclohexyl-4'-benzonitrile, A1828, Benzonitrile, 4-(4-pentylcyclohexyl)-, trans-, 4-(trans-4-Pentylcyclohexyl)benzonitrile, 99% - 1G 1g, 86674-91-1,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.199g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.405g/mol
Monoisotopic Mass	255.199g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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