Molecule ID: 137333887

IUPAC Name: 3-oxobutan-2-yl(2-phenylethyl)azanium

Description: The molecule is major species at pH 7.3 It is a member of benzenes, a methyl ketone, a secondary amino compound and a volatile organic compound. It is a conjugate acid of a 3-(phenethylamino)-butan-2-one.

SMILES: CC(=O)C(C)[NH2+]CCc1ccccc1

SELFIES: [C][C][=Branch1][C][=O][C][Branch1][C][C][NH2+1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C12H17NO/c1-10(11(2)14)13-9-8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/p+1

Molecular Properties:
- Polar Surface Area: 33.7 Ų
- LogP: 1.9