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

• ChemBase ID: 312507
• Molecular Formular: C10H12BrN
• Molecular Mass: 226.11298
• Monoisotopic Mass: 225.01531139
• SMILES: C(=C)CNCc1ccc(Br)cc1
• Canonical SMILES: C=CCNCc1ccc(cc1)Br
• InChI: InChI=1S/C10H12BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2
• InChIKey: CTEYBASDYOQWIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-bromophenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(4-bromophenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: N-(4-bromobenzyl)-2-propen-1-amine

Database IDs

• CAS Number: 99359-28-1
• MDL Number: MFCD07406233

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.01263886
• LogD (pH = 7.4): 1.4491252
• Log P: 3.0315971
• Molar Refractivity: 56.0915 cm^3
• Polarizability: 21.658773 Å^3
• Polar Surface Area: 12.03 Å^2