AG0023MB

1823-91-2 | Benzeneacetonitrile, α-methyl-

AG0023MB

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CAS Number	1823-91-2
Catalog Number	AG0023MB(AGN-PC-0QC7D3)
Chemical Name	Benzeneacetonitrile, α-methyl-
EC Number	217-354-9
IUPAC Name	2-phenylpropanenitrile
InChI	InChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3
InChI Key	NVAOLENBKNECGF-UHFFFAOYSA-N
MDL Number	MFCD00001871
Molecular Formula	C9H9N
Molecular Weight	131.1745
SMILES	C1(=CC=CC=C1)C(C#N)C
Synonyms	2-phenylpropionitrile, 2-phenylpropionitrile, (+-)-isomer, 2-Phenylpropanenitrile, 1823-91-2, 2-PHENYLPROPIONITRILE, alpha-Methylphenylacetonitrile, Hydratroponitrile, alpha-Methylbenzyl cyanide, 2-Phenylpropiononitrile, Benzeneacetonitrile, .alpha.-methyl-, METHYLBENZYL CYANIDE, .alpha.-Phenylpropionitrile, .alpha.-Phenylethyl cyanide, .alpha.-Methylbenzyl cyanide, Benzeneacetonitrile, alpha-methyl-, NVAOLENBKNECGF-UHFFFAOYSA-N, MFCD00001871, alpha-Phenylpropionitrile, alpha-Phenylethyl cyanide, a-methylbenzylcyanide, EINECS 217-354-9, NSC 11264, NSC 37485, a-methylbenzyl cyanide, 2-phenyl propionitrile, 2-phenyl-propionitrile, 2-Phenylpropyl nitrile, PubChem12511, alpha-methylbenzylcyanide, ACMC-1BVHR, PhCH(CN)CH3, AI3-07025, .alpha.-Cyanoethylbenzene, A-Methylphenylacetonitrile, AC1L26KO, alfa-Methylphenylacetonitrile, SCHEMBL156029, Benzeneacetonitrile, ?-methyl-, .alpha.-Methylphenylacetonitrile, benzeneacetonitrile, |A-methyl-, .alpha.-Methylbenzeneacetonitrile, CTK3J2328, alpha-Methylbenzyl cyanide, 96%, NSC11264, NSC37485, 6117AD, ANW-23112, NSC-11264, NSC-37485, AKOS004901366, ACN-054405, EBD2322581, MCULE-4753305027, RP19972, RTR-008405, KS-0000176S, AN-16778, AS-47372, SC-15681, TR-008405, FT-0613346, P0860, I01-8905, W-109714, Phenylpropionitrile, C9H9N, C9-H9-N, CID15761, ZINC02039218, alpha-Methylphenylacetonitrile, 97% - 25G 25g,

Complexity	136
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	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H301-H311-H331-H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P210e-P301+P310a-P405-P501a
UN Code	UN 3276

Certificate of Analysis

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