AG003NR5

827-36-1 | 2-(Dimethylamino)-2-phenylacetonitrile

AG003NR5

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CAS Number	827-36-1
Catalog Number	AG003NR5(AGN-PC-0UN3IV)
Chemical Name	2-(Dimethylamino)-2-phenylacetonitrile
IUPAC Name	2-(dimethylamino)-2-phenylacetonitrile
InChI	InChI=1S/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChI Key	PAGHXXKYFBGJEH-UHFFFAOYSA-N
MDL Number	MFCD00013810
Molecular Formula	C10H12N2
Molecular Weight	160.2157
NSC Number	37416
SMILES	CN(C(C1=CC=CC=C1)C#N)C
Synonyms	827-36-1, 2-(dimethylamino)-2-phenylacetonitrile, A-(DIMETHYLAMINO)PHENYLACETONITRILE, alpha-(Dimethylamino)phenylacetonitrile, A-dimethylaminophenylacetonitrile, ACETONITRILE, (DIMETHYLAMINO)PHENYL-, Acetonitrile, 2-(dimethylamino)-2-phenyl-, alpha-Dimethylaminophenyl acetonitrile, NSC 37416, BRN 2089853, alpha-DIMETHYLAMINOPHENYLACETONITRILE, MFCD00013810, 2-(dimethylamino)-2-phenyl-acetonitrile, .alpha.-(Dimethylamino)phenylacetonitrile, F3284-8073, 2-(dimethylamino)-2-phenylethanenitrile, NSC37416, Benzeneacetonitrile, .alpha.-(dimethylamino)-, WLN: NCYR&N1&1, 4-14-00-01321 (Beilstein Handbook Reference), AC1L21B0, SCHEMBL3447644, (alpha-Cyanobenzyl)dimethylamine, phenyl(dimethylamino)-acetonitrile, PAGHXXKYFBGJEH-UHFFFAOYSA-N, (dimethylamino)(phenyl)acetonitrile, KS-000023VW, N,N-Dimethyl-2-phenylglycinonitrile, a-N,N-Dimethylaminophenylacetonitrile, NSC-37416, SBB007705, AKOS002364198, AKOS016045670, FR-0145, MB00227, MCULE-5956814807, CS-10042, LS-13257, SC-49817, .alpha.,N,N-Dimethylaminophenylacetonitrile, Benzeneacetonitrile, alpha-(dimethylamino)-, FT-0621694, ST50329668, AZ0001-0488, alpha-N,N-Dimethylaminophenylacetonitrile, 97%, ALPHA-(N,N-DIMETHYLAMINO)PHENYLACETONITRILE, alpha-(N,N-Dimethylamino)phenylacetonitrile, 97%, Benzeneacetonitrile, alpha-(dimethylamino)- (9CI), InChI=1/C10H12N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,1-2H, A- PHENYLACETONITRILE, CID13227, C10-H12-N2,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.1g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.22g/mol
Monoisotopic Mass	160.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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