N-propylcyclopropanamine hydrochloride

• ChemBase ID: 285467
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC1)NCCC.Cl
• Canonical SMILES: CCCNC1CC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-2-5-7-6-3-4-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: IOPDTLHECJEJOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylcyclopropanamine hydrochloride
• IUPAC Traditional name: N-propylcyclopropanamine hydrochloride
• Synonyms: N-propylcyclopropanamine hydrochloride

Database IDs

• PubChem SID: 180670998
• PubChem CID: 18516031

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0787933
• LogD (pH = 7.4): -1.602171
• Log P: 1.1520164
• Molar Refractivity: 31.1772 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.124

Product Information

• Purity: 95%