AG003JVV

645-59-0 | 3-Phenylpropanenitrile

AG003JVV

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CAS Number	645-59-0
Catalog Number	AG003JVV(AGN-PC-00BJC5)
Chemical Name	3-Phenylpropanenitrile
EC Number	211-447-8
IUPAC Name	3-phenylpropanenitrile
InChI	InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
InChI Key	ACRWYXSKEHUQDB-UHFFFAOYSA-N
MDL Number	MFCD00001961
Molecular Formula	C9H9N
Molecular Weight	131.1745
NSC Number	16936
SMILES	N#CCCC1=CC=CC=C1
UNII	H2Y1JYN13Q
Synonyms	3-Phenylpropionitrile, 3-Phenylpropanenitrile, Benzenepropanenitrile, 645-59-0, HYDROCINNAMONITRILE, 2-Phenylethyl cyanide, Benzenepropionitrile, (2-Cyanoethyl)benzene, 3-Phenylpropiononitrile, Phenylpropionitrile, Phenethyl cyanide, Hydrocinnamique nitrile, NSC 16936, 1-Phenyl-2-cyanoethane, UNII-H2Y1JYN13Q, Benzenepropanitrile, Hydrocinnamique nitrile [French], beta-Phenylethyl cyanide, 1-Cyano-2-phenylethane, beta-Phenyl propionitrile, EINECS 211-447-8, MFCD00001961, BRN 0636348, H2Y1JYN13Q, AI3-23733, ACRWYXSKEHUQDB-UHFFFAOYSA-N, 3-(Phenyl-2-D)propanenitrile-2,2-D2, Benzylacetonitrile, phenylpropanonitrile, Dihydrocinnamonitrile, 3-phenylpropanitrile, 3-phenypropionitrile, 3-phenylpropanonitril, 2241982-86-3, 3-Phenylpropanonitrile, 3-phenyl-propionitrile, beta-phenylpropionitrile, AC1L1ZWF, .beta.-Phenylpropionitrile, .beta.-Phenylethyl cyanide, .beta.-Phenyl propionitrile, Hydrocinnamonitrile, 99+%, ACMC-1B3P0, 3-Phenylpropionitrile, 99%, 4-09-00-01764 (Beilstein Handbook Reference), SCHEMBL181108, DTXSID4060949, CHEBI:85426, KS-000012VM, NSC16936, ZINC1747831, ANW-34909, NSC-16936, STL445674, AKOS000121591, ACN-049292, MCULE-1379217564, AJ-31438, LS-77221, SY246292, TC-123654, TL8004592, FT-0626922, FT-0649505, P0611, ST51037996, V2247, MFCD31699963 (95%), I14-50114, F0001-1748, Z1259339804, InChI=1/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H, |A-Phenylpropionitrile, C9H9N, C9-H9-N, CID12581, 629-08-3,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.073g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.178g/mol
Monoisotopic Mass	131.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 3276

Certificate of Analysis

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