(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
Stereocentres
Sin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

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

21 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
  • (S)-(-)-N,Alpha-Dimethylbenzylamine

Work with (αS)-N,α-Dimethylbenzenemethanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(+)-N-Methyl-1-phenylethylamine5933-40-4Enantiomer

Similar compounds

N-(Diphenylmethyl)methylamine14683-47-758 % similar (+)-Bis[(R)-1-phenylethyl]amine hydrochloride82398-30-958 % similar (-)-N-Benzyl-1-phenylethylamine17480-69-252 % similar (+)-Benzylphenethylamine38235-77-752 % similar Ephedrine299-42-350 % similar (-)-Pseudoephedrine321-97-150 % similar Pseudoephedrine90-82-450 % similar 1,2-Diphenylethyl-N-methylamine53663-25-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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 (2S)-2-Phenylpropan-1-amine17596-79-1 2-Propylaniline1821-39-2

Elsewhere

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