AG002IJ2

20651-73-4 | Benzonitrile, 4-butyl-

AG002IJ2

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CAS Number	20651-73-4
Catalog Number	AG002IJ2(AGN-PC-0JMRJ2)
Chemical Name	Benzonitrile, 4-butyl-
IUPAC Name	4-butylbenzonitrile
InChI	InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
InChI Key	KGZNJCXNPLUEQS-UHFFFAOYSA-N
MDL Number	MFCD00052345
Molecular Formula	C11H13N
Molecular Weight	159.2276
SMILES	N#CC1=CC=C(CCCC)C=C1
Synonyms	4-Butylbenzonitrile, 20651-73-4, 4-n-Butylbenzonitrile, Benzonitrile,4-butyl-, Benzonitrile, 4-butyl-, 4-butylbenzenecarbonitrile, KGZNJCXNPLUEQS-UHFFFAOYSA-N, MFCD00052345, ACMC-20ammb, 4-Butylbenzonitrile #, 1-Butyl-4-cyanobenzene, 4-(n-butyl)benzonitrile, AC1L3HKO, 4-Butylbenzonitrile, 98%, SCHEMBL3753968, CTK1A6079, DTXSID40174693, ZINC2169280, 6992AD, SBB059146, AKOS015839523, MCULE-8261245849, SC-65397, DB-045320, TR-009651, FT-0617945, ST50824745, A814768, J-013490, I01-13409, C11H13N, CID140730, ZINC02169280, ACN-042512,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.105g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	159.232g/mol
Monoisotopic Mass	159.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number