AG003I7V

38803-30-4 | 3-(Dimethylamino)benzonitrile

AG003I7V

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CAS Number	38803-30-4
Catalog Number	AG003I7V(AGN-PC-0KUO7S)
Chemical Name	3-(Dimethylamino)benzonitrile
IUPAC Name	3-(dimethylamino)benzonitrile
InChI	InChI=1S/C9H10N2/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,1-2H3
InChI Key	FEOIEIQLXALHPJ-UHFFFAOYSA-N
MDL Number	MFCD00159008
Molecular Formula	C9H10N2
Molecular Weight	146.1891
SMILES	CN(C)C1=CC=CC(=C1)C#N
Synonyms	3-(dimethylamino)benzonitrile, 38803-30-4, Benzonitrile, 3-(dimethylamino)-, 3-n,n-dimethylaminobenzonitrile, 3-(CH3)2NC6H4CN, AC1MQLXL, m-dimethylaminobenzonitrile, 3-dimethylaminobenzonitrile, 3-Dimethylamino-benzonitrile, SCHEMBL151270, CTK1B4644, KS-00000EIK, DTXSID90392623, FEOIEIQLXALHPJ-UHFFFAOYSA-N, ZINC4773268, 5027AB, ANW-70540, MFCD00159008, AKOS010954278, MCULE-9188090841, TRA0008752, AJ-52230, AK-85836, CJ-12280, DA-18014, DS-18115, SY019121, AB0061409, TC-159285, FT-0743568, ST24022615, K-8433, Z-8355, MFCD00159008 (97+%), InChI=1/C9H10N2/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,1-2H, C9H10N2, CID3453879,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.193g/mol
Monoisotopic Mass	146.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2810

Certificate of Analysis

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