3-chloropropan-1-amine

• ChemBase ID: 816119
• Molecular Formular: C3H8ClN
• Molecular Mass: 93.55532
• Monoisotopic Mass: 93.03452694
• SMILES: NCCCCl
• Canonical SMILES: NCCCCl
• InChI: InChI=1S/C3H8ClN/c4-2-1-3-5/h1-3,5H2
• InChIKey: BZFKSWOGZQMOMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloropropan-1-amine
• IUPAC Traditional name: 3-chloropropan-1-amine
• Synonyms: 3-CHLOROPROPYLAMINE

Database IDs

• CAS Number: 14753-26-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9242377
• LogD (pH = 7.4): -2.482903
• Log P: 0.098990716
• Molar Refractivity: 24.1275 cm^3
• Polarizability: 9.609011 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%