AG003IP5

39101-54-7 | 3,5-Dimethylphenylacetonitrile

AG003IP5

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CAS Number	39101-54-7
Catalog Number	AG003IP5(AGN-PC-0JLOH3)
Chemical Name	3,5-Dimethylphenylacetonitrile
EC Number	254-292-1
IUPAC Name	2-(3,5-dimethylphenyl)acetonitrile
InChI	InChI=1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3
InChI Key	LMUKNQSVBFEUKR-UHFFFAOYSA-N
MDL Number	MFCD00060304
Molecular Formula	C10H11N
Molecular Weight	145.2010
SMILES	CC1=CC(CC#N)=CC(C)=C1
Synonyms	3,5-Dimethylphenylacetonitrile, 39101-54-7, 2-(3,5-dimethylphenyl)acetonitrile, (3,5-Dimethylphenyl)acetonitrile, Benzeneacetonitrile, 3,5-dimethyl-, LMUKNQSVBFEUKR-UHFFFAOYSA-N, (3,5-Dimethyl-phenyl)-acetonitrile, MFCD00060304, 2-(3,5-dimethylphenyl)ethanenitrile, EINECS 254-292-1, ACMC-20a3vm, AC1L3WOM, 3,5-dimethylbenzyl cyanide, AC1Q2I9R, AC1Q2IK0, AC1Q4S2V, 3.5-Dimethylphenylacetonitril, 3,5-dimethylbenzeneacetonitrile, 3,5-dimethylphenylethanenitrile, SCHEMBL1823353, 3,5-dimethylphenyl-acetonitrile, Jsp006800, CTK3J7677, KS-00000VXC, DTXSID80192351, EBD21313, ZINC2528063, (3,5-Dimethylphenyl)acetonitrile #, 5088AB, ANW-55952, CD-866, SBB064821, STK661462, AKOS002217604, AN-7005, MCULE-3566722983, NE11110, RTR-015691, VZ34912, AJ-38219, AS-54455, SC-44737, DB-022103, TR-015691, BB 0222346, FT-0614701, ST50143522, EN300-42383, I01-5989, W-106457, F3122-0062, Z274447884, A4103/0174930, C10H11N, KST-1A4696, AR-1A3870, C10-H11-N, CID123481, ZINC02528063, 4097-82-9,

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 Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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