2-cyclobutylethan-1-amine hydrochloride

• ChemBase ID: 237177
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: Cl.NCCC1CCC1
• Canonical SMILES: NCCC1CCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c7-5-4-6-2-1-3-6;/h6H,1-5,7H2;1H
• InChIKey: MSLKIPOSLZMEOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutylethan-1-amine hydrochloride
• IUPAC Traditional name: 2-cyclobutylethanamine hydrochloride
• Synonyms: 2-cyclobutylethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22369904
• PubChem SID: 164293087
• PubChem CID: 19369540

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0575144
• LogD (pH = 7.4): -1.6327643
• Log P: 0.96630204
• Molar Refractivity: 31.1398 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223 - 225°C
• Hydrophobicity(logP): 1.397

Product Information

• Purity: 95%