AG007FRA

34403-48-0 | 4-((Methylamino)methyl)benzonitrile

AG007FRA

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CAS Number	34403-48-0
Catalog Number	AG007FRA(AGN-PC-0N7FGE)
Chemical Name	4-((Methylamino)methyl)benzonitrile
IUPAC Name	4-(methylaminomethyl)benzonitrile
InChI	InChI=1S/C9H10N2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5,11H,7H2,1H3
InChI Key	DWXAJFNXJVIBDP-UHFFFAOYSA-N
MDL Number	MFCD09738490
Molecular Formula	C9H10N2
Molecular Weight	146.1891
SMILES	CNCC1=CC=C(C=C1)C#N
Synonyms	34403-48-0, 4-(methylaminomethyl)benzonitrile, 4-((Methylamino)methyl)benzonitrile, 4-[(methylamino)methyl]benzonitrile, Benzonitrile, 4-[(methylamino)methyl]-, methyl-4-cyanobenzyl amine, n-methyl-4-cyanobenzylamine, KSC572G4D, SCHEMBL509578, AC1Q415D, CHEMBL4098672, CTK4H2341, DTXSID30442333, DWXAJFNXJVIBDP-UHFFFAOYSA-N, 4-(methylaminomethyl)-benzonitrile, ANW-67175, MFCD09738490, ZINC20282628, AKOS000147962, Benzonitrile,4-[(methylamino)methyl]-, MCULE-6236196069, 4-(methylaminomethyl)benzenecarbonitrile, AJ-76885, AK-89888, BS-13396, AB0057944, DB-000205, TX-011962, FT-0698293, ST24042766, TL80090568, V5324, EN300-32046, K-7854, 403M480, A822221, I01-7373, Z123857104, C9H10N2, CID10606883, R225,

Complexity	148
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	1
Isotope Atom Count	0
Molecular Weight	146.193g/mol
Monoisotopic Mass	146.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number