AG001977

138457-19-9 | Benzenemethanamine, α,3-dimethyl-, (αR)-

AG001977

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CAS Number	138457-19-9
Catalog Number	AG001977(AGN-PC-0PMQ8B)
Chemical Name	Benzenemethanamine, α,3-dimethyl-, (αR)-
IUPAC Name	(1R)-1-(3-methylphenyl)ethanamine
InChI	InChI=1S/C9H13N/c1-7-4-3-5-9(6-7)8(2)10/h3-6,8H,10H2,1-2H3/t8-/m1/s1
InChI Key	HIJMHAFOUAKOMS-MRVPVSSYSA-N
MDL Number	MFCD06761972
Molecular Formula	C9H13N
Molecular Weight	135.2062
SMILES	C[C@@H](N)C1=CC=CC(C)=C1
Synonyms	(R)-1-m-Tolylethanamine, 138457-19-9, (R)-1-(m-Tolyl)ethanamine, (1R)-1-(3-Methylphenyl)ethan-1-amine, SCHEMBL780412, (R)-m-Methyl-a-phenethylamin, CTK8B4955, DTXSID30654419, (R)-1-(m-tolyl)ethan-1-amine, (R)-1-(3-Methylphenyl)ethanamine, KS-00000LM4, ZINC3705300, ANW-46819, MFCD06761972, AKOS012670138, CS-W020506, AJ-45348, DS-13475, ST2414424, TR-005085, FT-0084238, FT-0651587, W3022, Benzenemethanamine, alpha,3-dimethyl-, (alphaR)-, J-502127, C9H13N, (R)-1-M-TOLYLETHANAMINE-HCL,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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