3-phenylpropan-1-aminium

• ChemBase ID: 815771
• Molecular Formular: C9H14N+
• Molecular Mass: 136.21416
• Monoisotopic Mass: 136.11262445
• SMILES: [NH3+]CCCc1ccccc1
• Canonical SMILES: [NH3+]CCCc1ccccc1
• InChI: InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2/p+1
• InChIKey: LYUQWQRTDLVQGA-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylpropan-1-aminium
• IUPAC Traditional name: 3-phenylpropylamine
• Synonyms: 3-PHENYLPROPYLAMINE

Database IDs

• CAS Number: 2038-57-5

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -1.1877453
• LogD (pH = 7.4): -0.66528827
• Log P: 1.8322442
• Molar Refractivity: 55.1802 cm^3
• Polarizability: 17.28511 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%