3-cyclopropylpropan-1-amine hydrochloride

• ChemBase ID: 276941
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1CC1CCCN.Cl
• Canonical SMILES: NCCCC1CC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c7-5-1-2-6-3-4-6;/h6H,1-5,7H2;1H
• InChIKey: AKWNDDPZERWDCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylpropan-1-amine hydrochloride
• IUPAC Traditional name: 3-cyclopropylpropan-1-amine hydrochloride
• Synonyms: 3-cyclopropylpropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD12025420
• PubChem SID: 164332851
• PubChem CID: 53414719

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.05768
• LogD (pH = 7.4): -1.6377188
• Log P: 0.96630204
• Molar Refractivity: 31.1398 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 1.367

Product Information

• Purity: 95%