AG00FAYT

73592-81-1 | 4-(4-Ethylcyclohexyl)benzonitrile

AG00FAYT

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CAS Number	73592-81-1
Catalog Number	AG00FAYT(AGN-PC-0JNDFR)
Chemical Name	4-(4-Ethylcyclohexyl)benzonitrile
EC Number	277-084-2
IUPAC Name	4-(4-ethylcyclohexyl)benzonitrile
InChI	InChI=1S/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
InChI Key	BBHJTCADCKZYSO-UHFFFAOYSA-N
MDL Number	MFCD09750932
Molecular Formula	C15H19N
Molecular Weight	213.3181
SMILES	N#CC1=CC=C(C2CCC(CC)CC2)C=C1
Synonyms	72928-54-2, 4-(4-Ethylcyclohexyl)benzonitrile, 4-(trans-4-Ethylcyclohexyl)benzonitrile, 73592-81-1, trans-4-(4-Ethylcyclohexyl)benzonitrile, 1-Cyano-4-(trans-4-ethylcyclohexyl)benzene, 4-(Trans-4-Ethylcyclohexyl)-benzonitrile, Benzonitrile, 4-(trans-4-ethylcyclohexyl)-, Trans-4-ethylcyclohexyl-4-benzonitrile, 4-trans-ethylcyclohexylcyanobenzene, MFCD09750932, Benzonitrile, 4-(4-ethylcyclohexyl)-, EINECS 277-084-2, ACMC-209oor, trans-4-(4-Ethyl-cyclohexyl)-benzonitrile, Benzonitrile, 4-(4-ethylcyclohexyl)-, trans-, KSC490Q7J, KSC496I9H, AC1L41G5, SCHEMBL7509180, SCHEMBL7899393, BBHJTCADCKZYSO-UHFFFAOYSA-, CTK3J6493, KS-00000NRL, BBHJTCADCKZYSO-UHFFFAOYSA-N, ANW-36265, CE-357, ZINC31494558, AKOS015838521, AKOS015888898, ZINC100003985, ZINC238808783, EBD2219465, RL04774, RTC-040218, RTR-023748, KS-00000H73, 4-(4-ethylcyclohexyl)benzenecarbonitrile, AJ-84275, AK-50764, AK392903, AN-37295, AN-37375, CJ-17808, DS-13122, DS-15540, 4-(4-Ethylcyclohexyl)benzonitrile, (E)-, DB-030455, ST2405486, TR-023748, 2-((1r,4r)-4-ethylcyclohexyl)benzonitrile, E0703, FT-0655729, FT-0689228, W8129, A24022, 4-(4beta-Ethylcyclohexan-1alpha-yl)benzonitrile, 592E811, A837867, I01-1649, I14-9120, W-104474, InChI=1/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3, trans-4- benzonitrile, C15H19N, C15-H19-N, CID175307, trans-4-Ethylcyclohexyl-4'-benzonitrile, trans-4-(4-Ethylcyclohexyl)benzonitrile, 99% 1g,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.152g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.324g/mol
Monoisotopic Mass	213.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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