AG005ARC

74533-20-3 | Benzeneacetonitrile, 2-ethyl-

AG005ARC

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CAS Number	74533-20-3
Catalog Number	AG005ARC(AGN-PC-003SP5)
Chemical Name	Benzeneacetonitrile, 2-ethyl-
IUPAC Name	2-(2-ethylphenyl)acetonitrile
InChI	InChI=1S/C10H11N/c1-2-9-5-3-4-6-10(9)7-8-11/h3-6H,2,7H2,1H3
InChI Key	LLLAUEJCYCBLPM-UHFFFAOYSA-N
MDL Number	MFCD09923659
Molecular Formula	C10H11N
Molecular Weight	145.2010
SMILES	N#CCC1=CC=CC=C1CC
Synonyms	2-(2-ethylphenyl)acetonitrile, 74533-20-3, Benzeneacetonitrile, 2-ethyl-, 2-ethylphenylacetonitrile, 2-Aethylphenylacetonitril, (2-Ethylphenyl)acetonitrile, (2-ethylphenyl)-acetonitrile, SCHEMBL956458, (2-ethyl-phenyl)-acetonitrile, CTK2G1367, DTXSID20568415, LLLAUEJCYCBLPM-UHFFFAOYSA-N, 2-(2-ethylphenyl)acetonitrile (Cas, MFCD09923659, ZINC34469672, AKOS006313737, MCULE-5424669848, NE45730, SC-91038, Z1795827008,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.089g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	145.205g/mol
Monoisotopic Mass	145.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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