[(2-chlorophenyl)methyl](prop-2-en-1-yl)amine

• ChemBase ID: 312643
• Molecular Formular: C10H12ClN
• Molecular Mass: 181.66198
• Monoisotopic Mass: 181.06582707
• SMILES: c1(c(Cl)cccc1)CNCC=C
• Canonical SMILES: C=CCNCc1ccccc1Cl
• InChI: InChI=1S/C10H12ClN/c1-2-7-12-8-9-5-3-4-6-10(9)11/h2-6,12H,1,7-8H2
• InChIKey: NIPYYZYFRCKOKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chlorophenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(2-chlorophenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: N-(2-chlorobenzyl)-2-propen-1-amine

Database IDs

• CAS Number: 103754-08-1
• MDL Number: MFCD07407748

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.24411206
• LogD (pH = 7.4): 1.9690181
• Log P: 2.8668892
• Molar Refractivity: 53.2735 cm^3
• Polarizability: 20.85139 Å^3
• Polar Surface Area: 12.03 Å^2