AG003AXP

54708-14-4 | 2-(2,6-Dimethylphenyl)acetonitrile

AG003AXP

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CAS Number	54708-14-4
Catalog Number	AG003AXP(AGN-PC-0L480N)
Chemical Name	2-(2,6-Dimethylphenyl)acetonitrile
IUPAC Name	2-(2,6-dimethylphenyl)acetonitrile
InChI	InChI=1S/C10H11N/c1-8-4-3-5-9(2)10(8)6-7-11/h3-5H,6H2,1-2H3
InChI Key	ABOLDLVTFQCAHP-UHFFFAOYSA-N
MDL Number	MFCD00060300
Molecular Formula	C10H11N
Molecular Weight	145.2010
SMILES	N#CCC1=C(C)C=CC=C1C
Synonyms	2,6-DIMETHYLPHENYLACETONITRILE, 54708-14-4, 2-(2,6-dimethylphenyl)acetonitrile, Benzeneacetonitrile, 2,6-dimethyl-, PubChem12533, AC1N1VRZ, AC1Q2NAB, SCHEMBL954804, 2,6-Dimethylbenzeneacetonitrile, CTK1G9108, 2,6-dimethyl-phenyl-acetonitrile, DTXSID50398681, ABOLDLVTFQCAHP-UHFFFAOYSA-N, ZINC2528060, 2-(2,6-dimethylphenyl)ethanenitrile, 5409AE, MFCD00060300, SBB079586, AKOS006344185, KS-000010P5, AS-46343, DB-020247, TR-019345, FT-0682164, I14-27584, C10H11N, CID4036941,

Complexity	155
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 statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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