chempirical

(αS)-N,α-Dimethylbenzenemethanamine

C9H13NCAS 19131-99-8135.21 g/mol

Open in Covalent MOL file
NH
Secondary Amine

Properties

Molecular formula
C9H13N
Molar mass
135.21 g/mol
Exact mass
135.1048 Da
Boiling point
86 °C (at 20 Torr)
logP
1.97Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
19131-99-8
SMILES
CN[C@@H](C)c1ccccc1
InChIKey
RCSSHZGQHHEHPZ-QMMMGPOBSA-N
InChI
InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

20 names · show all
  • Benzenemethanamine, N,α-dimethyl-, (αS)-
  • Benzylamine, N,α-dimethyl-, (S)-(-)-
  • Benzenemethanamine, N,α-dimethyl-, (S)-
  • S-(-)-N,α-Dimethylbenzylamine
  • (S)-N-Methyl-1-phenylethylamine
  • (S)-Methyl(1-phenylethyl)amine
  • N-Methyl-(S)-α-phenylethylamine
  • N-Methyl-(S)-1-phenylethylamine
  • (S)-N,α-Dimethylbenzenemethanamine
  • (S)-N,α-Dimethylbenzylamine
  • (S)-(-)-N-Methyl-1-phenylethylamine
  • (S)-α,N-Dimethylbenzylamine
  • N-Methyl-N-[(1S)-1-phenylethyl]amine
  • (1S)-N-Methyl-1-phenylethylamine
  • N-Methyl-N-[(αS)-α-methylbenzyl]amine
  • (S)-N-Methyl-α-methylbenzylamine
  • (-)-(S)-α,N-Dimethylbenzylamine
  • (S)-N-Methyl-1-phenylethanamine
  • (1S)-N-Methyl-1-phenylethanamine
  • (S)-N-Methyl-1-phenylethan-1-amine

Work with (αS)-N,α-Dimethylbenzenemethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

N-Ethyl-M-toluidine102-27-2 3,4-Dimethylbenzenemethanamine102-48-7 Dimethylbenzylamine103-83-3 Dimethyl-M-toluidine121-72-2 2,4,5-Trimethylaniline137-17-7 Ethylbenzylamine14321-27-8 2-Propylaniline1821-39-2 Benzenepropanamine2038-57-5

Elsewhere

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