AG00BD6U

3020-06-2 | 3,4-Dimethylphenylacetonitrile

AG00BD6U

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CAS Number	3020-06-2
Catalog Number	AG00BD6U(AGN-PC-0JLQ08)
Chemical Name	3,4-Dimethylphenylacetonitrile
EC Number	221-168-3
IUPAC Name	2-(3,4-dimethylphenyl)acetonitrile
InChI	InChI=1S/C10H11N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,7H,5H2,1-2H3
InChI Key	XNSHCUIBMZSUGL-UHFFFAOYSA-N
MDL Number	MFCD00019829
Molecular Formula	C10H11N
Molecular Weight	145.2010
NSC Number	26232
SMILES	CC=1C=C(C=CC1C)CC#N
Synonyms	3020-06-2, 2-(3,4-dimethylphenyl)acetonitrile, 3,4-DIMETHYLPHENYLACETONITRILE, 3,4-Xylylacetonitrile, Benzeneacetonitrile, 3,4-dimethyl-, 3,4-Dimethylacetonitrile, XNSHCUIBMZSUGL-UHFFFAOYSA-N, NSC26232, AC1L2QTZ, AC1Q2DUU, AC1Q2QSJ, 3,4-Dimethylbenzeneacetonitrile, SCHEMBL3244749, CTK4G4652, DTXSID80184296, Benzeneacetonitrile,3,4-dimethyl-, ZINC1628284, (3,4-Dimethylphenyl)acetonitrile #, EINECS 221-168-3, ANW-56197, MFCD00019829, NSC-26232, AKOS010813880, AJ-28431, CJ-26246, EN002645, FS003012, DB-021947, TR-030580, FT-0634604, I14-27607, 3,4-Dimethylbenzyl cyanide, 3,4-dimethyl benzyl cyanide, CID76401, AR-1E9281, 2-(3,4-dimethylphenyl)-acetonitrile, 3242-08-8,

Complexity	165
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	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H319-H332
Packing Group	\N
Precautionary statements	P280-P310-P305+P351+P338
UN Code	\N

Certificate of Analysis

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