(alphaS)-alpha,2-Dimethylbenzenemethanamine

HCID 197800CAS 76279-30-6

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Basic information

Standard SMILES: Cc1ccccc1[C@H](C)N
InChIKey: ZCDYTNZJBGSKFI-QMMMGPOBSA-N
Molecular formula: C9H13N
Average molar mass: 135.21 g/mol
Monoisotopic mass: 135.10479942

Names & identifiers

Preferred name: (alphaS)-alpha,2-Dimethylbenzenemethanamine
IUPAC: (1S)-1-(2-methylphenyl)ethanamine
English name: (S)-o-Methyl-a-phenylethylamine
Molecular formula: C9H13N
Molecular weight: 135.21

Names & synonyms

76279-30-6RefChem:210054(alphaS)-alpha,2-Dimethylbenzenemethanamine(S)-1-(o-Tolyl)ethanamine(1S)-1-(2-methylphenyl)ethan-1-amine(1S)-1-(2-methylphenyl)ethanamine(S)-1-o-tolylethanamine(S)-o-Methyl-a-phenylethylamineMFCD06761817(S)-1-(o-tolyl)Ethan-1-amine(S)-1-o-tolyl-ethylamine(1S)-1-(o-tolyl)ethanamine

Show more names

(S)-1-O-TOLYLETHANAMINE-HCl(S)-o-Methyl-alpha-phenylethylamine(S)-1-O-TolylethanaMine hydrochlorideBenzenemethanamine, α,2-dimethyl-, (αS)-BenzeneMethanaMine, .alpha.,2-diMethyl-, (.alpha.S)-

SCHEMBL3867592SCHEMBL6203988ZCDYTNZJBGSKFI-QMMMGPOBSA-NDTXSID101295314AKOS015840050(S)-1-(2-methylphenyl)ethan-1-amineBenzenemethanamine, ,2-dimethyl-, (S)-BS-41781

Database identifiers

CAS: 76279-30-6
PubChem CID: 197800
DTXSID: DTXSID101295314
Nikkaji: J735.525D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501