AG003UXV

68065-81-6 | 4'-(trans-4-Pentylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile

AG003UXV

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CAS Number	68065-81-6
Catalog Number	AG003UXV(AGN-PC-0OGG7M)
Chemical Name	4'-(trans-4-Pentylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile
EC Number	268-333-6
IUPAC Name	4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile
InChI	InChI=1S/C24H29N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h8-9,12-17,19,21H,2-7,10-11H2,1H3
InChI Key	QKEBUASRTJNJJS-UHFFFAOYSA-N
MDL Number	MFCD01076317
Molecular Formula	C24H29N
Molecular Weight	331.4938
SMILES	N#CC1=CC=C(C2=CC=C([C@H]3CC[C@H](CCCCC)CC3)C=C2)C=C1
Synonyms	68065-81-6, 4'-(Trans-4-pentylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile, trans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile, EINECS 268-333-6, trans-4-(4-Pentylcyclohexyl)-4'-cyanobiphenyl, 4-(TRANS-4-N-PENTYLCYCLOHEXYL)BIPHENYL-4'-CARBONITRILE, [1,1'-Biphenyl]-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)-, (1,1'-Biphenyl)-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)-, 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile, 4'-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile, 4'-(trans-4-Amylcyclohexyl)biphenyl-4-carbonitrile, trans-4'-(4-Pentylcyclohexyl)(1,1'-biphenyl)-4-carbonitrile, trans-4'-(4-Pentylcyclohexyl)[1,1'-biphenyl]-4-carbonitrile, 70711-80-7, 4-[4-(4-pentylcyclohexyl)phenyl]benzenecarbonitrile, C24H29N, Licristal S 1131, AC1Q4RDZ, BCH-5CN, 4-Cyano-4'-(trans-4-pentylcyclohexyl)biphenyl, AC1L30CF, 4-Cyano-4'-(trans-4-pentylcyclohexyl)-biphenyl, SCHEMBL223333, SCHEMBL223334, SCHEMBL13340545, QKEBUASRTJNJJS-UHFFFAOYSA-N, QKEBUASRTJNJJS-XUTJKUGGSA-N, KS-00000NU9, ZINC2389397, [1,1'-Biphenyl]-4-carbonitrile, 4'-(4-pentylcyclohexyl)-, trans-, ANW-46802, CP-517, MFCD01076317, SBB063423, AKOS015888892, AKOS022177415, ZINC100003890, ZINC238809349, CS-W011952, MCULE-9692698685, RL04597, TRA-0206019, AJ-35581, AK-50759, AN-38196, DS-15539, SC-76035, 4-(trans-4-Pentylcyclohexyl)biphenylnitrile, DB-009053, ST2405193, TC-135547, FT-0616865, ST50826218, W7836, 4-Cyano-4'-(trans-4-amylcyclohexyl)biphenyl, 4-(trans-4-pentylcyclohexyl)-4'-cyanobiphenyl, 065N816, 4'-(4-pentyl-cyclohexyl)-biphenyl-4-carbonitrile, 4-[4-(trans-4-Amylcyclohexyl)phenyl]benzonitrile, 4-[4-(trans-4-Pentylcyclohexyl)phenyl]benzonitrile, W-104689, 4'-(trans-4-pentylcyclohexyl)-4-biphenylcarbonitrile, 4'-(trans-4-Pentylcyclohexyl)biphenyl-4-carbonitrile, 4-(trans-4-n-Pentylcyclohexyl)biphenyl-4-carbonitrile, trans-4-[4-(4-n-Pentylcyclohexyl)phenyl]benzonitrile, 1alpha-Pentyl-4beta-(4-cyanobiphenyl-4'-yl)cyclohexane, 4'-((1s,4r)-4-pentylcyclohexyl)biphenyl-4-carbonitrile, Np(trans-4-N-pentylcyclohexyl)biphenyl-4'-carbonitrile, 4-(TRANS-4-N-PENTYLCYCLOHEXYL)BIPHENYL-4'-CARBONIT, 4'-((1s,4r)-4-pentylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile, AR-1L7016, C24-H29-N, CID106491, A2568, Trans-4-Cyano-4-(4-n-Pentylcyclohexyl)Biphenyl, (1,1'-Biphenyl)-4-carbonitrile, 4'-(4-pentylcyclohexyl)-, 68889-85-0,

Complexity	409
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	331.23g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.503g/mol
Monoisotopic Mass	331.23g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.2

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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