AG003LCA

51632-28-1 | 2-(4-ethylphenyl)acetonitrile

AG003LCA

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CAS Number	51632-28-1
Catalog Number	AG003LCA(AGN-PC-0JMSWG)
Chemical Name	2-(4-ethylphenyl)acetonitrile
IUPAC Name	2-(4-ethylphenyl)acetonitrile
InChI	InChI=1S/C10H11N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7H2,1H3
InChI Key	NCPKDFDQDZMXCO-UHFFFAOYSA-N
MDL Number	MFCD00040893
Molecular Formula	C10H11N
Molecular Weight	145.2010
SMILES	CCc1ccc(CC#N)cc1
Synonyms	4-Ethylphenylacetonitrile, 51632-28-1, 2-(4-ethylphenyl)acetonitrile, (4-ethylphenyl)acetonitrile, Benzeneacetonitrile, 4-ethyl-, NCPKDFDQDZMXCO-UHFFFAOYSA-N, MFCD00040893, 2-(4-ethylphenyl)ethanenitrile, 4-ethylbenzylcyanide, 4-Ethylbenzyl cyanide, p-ethylphenylacetonitrile, AC1Q2TIQ, ACMC-1AO1H, AC1L3M06, SCHEMBL2600192, CTK3J7973, DTXSID60199580, ACT03823, ZINC2390025, 7208AB, ANW-74110, CE-426, SBB065173, AKOS005206783, (4-Ethylphenyl)acetonitrile AldrichCPR, MCULE-4106407582, RTR-018391, SB13178, (4-Ethylphenyl)acetonitrile, AldrichCPR, AJ-35650, AN-41182, TR-018391, CS-0054109, FT-0618421, ST50823987, 632E281, I01-7199, C10H11N, CID142867, ZINC02390025, A7609,

Complexity	146
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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P264-P280-P305+P351+P338-P233
UN Code

Certificate of Analysis

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