N-(propan-2-yl)cyclopropanamine hydrochloride

• ChemBase ID: 254938
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC1)NC(C)C.Cl
• Canonical SMILES: CC(NC1CC1)C.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5(2)7-6-3-4-6;/h5-7H,3-4H2,1-2H3;1H
• InChIKey: PUIXXJOADHWACF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)cyclopropanamine hydrochloride
• IUPAC Traditional name: N-isopropylcyclopropanamine hydrochloride
• Synonyms: N-cyclopropyl-N-isopropylamine hydrochloride

Database IDs

• MDL Number: MFCD09863848
• PubChem SID: 164310848
• PubChem CID: 43810518

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1842418
• LogD (pH = 7.4): -1.6951137
• Log P: 1.046069
• Molar Refractivity: 31.072 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): 0.674

Product Information

• Purity: 95%