(3-chloropropyl)(ethyl)methylamine

• ChemBase ID: 308646
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: N(CCCCl)(CC)C
• Canonical SMILES: ClCCCN(CC)C
• InChI: InChI=1S/C6H14ClN/c1-3-8(2)6-4-5-7/h3-6H2,1-2H3
• InChIKey: RUIVNAFFLBTLTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloropropyl)(ethyl)methylamine
• IUPAC Traditional name: (3-chloropropyl)(ethyl)methylamine
• Synonyms: (3-chloropropyl)ethyl(methyl)amine

Database IDs

• CAS Number: 343926-41-0
• MDL Number: MFCD12827476

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.907849
• LogD (pH = 7.4): -0.29534173
• Log P: 1.271427
• Molar Refractivity: 38.9454 cm^3
• Polarizability: 15.121373 Å^3
• Polar Surface Area: 3.24 Å^2