AG003JRL

39180-84-2 | 3-METHYL-N-METHYLBENZYLAMINE 97

AG003JRL

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CAS Number	39180-84-2
Catalog Number	AG003JRL(AGN-PC-00O0IW)
Chemical Name	3-METHYL-N-METHYLBENZYLAMINE 97
IUPAC Name	N-methyl-1-(3-methylphenyl)methanamine
InChI	InChI=1S/C9H13N/c1-8-4-3-5-9(6-8)7-10-2/h3-6,10H,7H2,1-2H3
InChI Key	WCTNVGNEUDTSOZ-UHFFFAOYSA-N
MDL Number	MFCD05865181
Molecular Formula	C9H13N
Molecular Weight	135.2062
SMILES	CC1=CC(CNC)=CC=C1
Synonyms	3-Methyl-N-methylbenzylamine, 39180-84-2, N-Methyl-1-(m-tolyl)methanamine, (3-Methylbenzyl)methylamine, methyl[(3-methylphenyl)methyl]amine, Benzenemethanamine, N,3-dimethyl-, MFCD05865181, ACMC-20a7fx, N,3-Dimethylbenzylamine, 3-Methylbenzylmethylamine, Methyl(3-methylbenzyl)amine, N-Methyl-3-methylbenzylamine, KSC493M5B, AC1Q414Q, SCHEMBL1038988, CTK3J3650, DTXSID50549651, WCTNVGNEUDTSOZ-UHFFFAOYSA-N, KS-00000P6A, ZINC2563919, 3-Methyl-N-methylbenzylamine, 97%, 5109AB, ANW-60571, AKOS000130553, MCULE-2381007297, NE21799, RTR-015710, N-methyl-1-(3-methylphenyl)methanamine, AJ-40973, AK-89676, DS-16598, AB0057956, DB-000199, TR-015710, FT-0698369, M2824, ST24048620, TL80090558, EN300-33201, 180M842, I01-7376, Z102766992, C9H13N, 3-METHYL-N-METHYLBENZYLAMINE97, R214,

Complexity	90.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.105g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	135.21g/mol
Monoisotopic Mass	135.105g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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