AG00E969

63799-11-1 | (S)-4'-(2-methylbutyl)[1,1'-biphenyl]-4-carbonitrile

AG00E969

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CAS Number	63799-11-1
Catalog Number	AG00E969(AGN-PC-0WAMM0)
Chemical Name	(S)-4'-(2-methylbutyl)[1,1'-biphenyl]-4-carbonitrile
EC Number	264-464-8
IUPAC Name	4-[4-[(2S)-2-methylbutyl]phenyl]benzonitrile
InChI	InChI=1S/C18H19N/c1-3-14(2)12-15-4-8-17(9-5-15)18-10-6-16(13-19)7-11-18/h4-11,14H,3,12H2,1-2H3/t14-/m0/s1
InChI Key	DNJQGRFZQMOYGM-AWEZNQCLSA-N
MDL Number	MFCD00192280
Molecular Formula	C18H19N
Molecular Weight	249.3502
SMILES	N#CC1=CC=C(C2=CC=C(C[C@@H](C)CC)C=C2)C=C1
Synonyms	63799-11-1, (S)-4'-(2-methylbutyl)-[1,1'-biphenyl]-4-carbonitrile, (S)-4-Cyano-4'-(2-methylbutyl)biphenyl, (S)-4'-(2-Methylbutyl)[1,1'-biphenyl]-4-carbonitrile, 4-(S)-2-Methylbutyl-4'-cyanobiphenyl, 4-[4-[(2S)-2-methylbutyl]phenyl]benzonitrile, 59137-36-9, [1,1'-Biphenyl]-4-carbonitrile,4'-[(2S)-2-methylbutyl]-, EINECS 264-464-8, (S)-4'-(2-Methylbutyl)(1,1'-biphenyl)-4-carbonitrile, (1,1'-Biphenyl)-4-carbonitrile, 4'-((2S)-2-methylbutyl)-, AK167073, 4-Cyano-4'-(2-methylbut-1-yl)biphenyl, AC1L3EW9, AC1Q4RR5, 4'-[(2s)-2-methylbutyl]biphenyl-4-carbonitrile, CB15, SCHEMBL1533878, CTK5B9877, KS-00000LOT, CB-15, ZINC5468495, MFCD00192280, AKOS015918092, DS-9216, AN-38911, SC-92450, 4-cyano-4'-((s)-2-methylbutyl)biphenyl, (S)-4-Cyano-4\'-(2-methylbutyl)biphenyl, Y0508, (S)-4-(2-Methylbutyl)biphenyl-4'-carbonitrile, 4'-[(S)-2-Methylbutyl]biphenyl-4-carbonitrile, 799M111, I14-9197, N-(6-aminohexyl)imidazole-1-carboxamide,hydrochloride, (S)-4'-(2-METHYLBUTYL)-4-BIPHENYLCARBONITRILE, (S)-4'-(2-methylbutyl)[1,1'-biphenyl]-4-carbonitri, (S)-4-(2-METHYLBUTYL)[1,1-BIPHENYL]-4-CARBONITRILE, (S)-4-(2-Methylbutyl)biphenyl-4'-carbonitrile C18H19N 249.36 63799-11-1 264-464-8 MFCD00192280 Y, 97730-31-9, C18H19N, AR-1F9088, C18-H19-N, CID114240, C2913, 4'-[ -2-Methylbutyl]biphenyl-4-carbonitrile, (S)-4'-(2-Methylbutyl)[1,1'-biphenyl]-4'-carbonitrile, (S)-4-Cyano-4'-(2-methylbutyl)biphenyl, 98% - 1G 1g, [1,1'-Biphenyl]-4-carbonitrile, 4'-(2-methylbutyl)-, (S)-, [1,1'-Biphenyl]-4-carbonitrile, 4'-[(2S)-2-methylbutyl]-, 5430-06-8,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	249.152g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.357g/mol
Monoisotopic Mass	249.152g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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