N-(prop-2-en-1-yl)cyclopropanamine hydrochloride

• ChemBase ID: 246642
• Molecular Formular: C6H12ClN
• Molecular Mass: 133.61918
• Monoisotopic Mass: 133.06582707
• SMILES: C1(CC1)NCC=C.Cl
• Canonical SMILES: C=CCNC1CC1.Cl
• InChI: InChI=1S/C6H11N.ClH/c1-2-5-7-6-3-4-6;/h2,6-7H,1,3-5H2;1H
• InChIKey: GKIWTYRVRLUMSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)cyclopropanamine hydrochloride
• IUPAC Traditional name: N-(prop-2-en-1-yl)cyclopropanamine hydrochloride
• Synonyms: N-(prop-2-en-1-yl)cyclopropanamine hydrochloride

Database IDs

• PubChem SID: 164302552
• PubChem CID: 71758039

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1718166
• LogD (pH = 7.4): -1.0920203
• Log P: 1.0039359
• Molar Refractivity: 31.0673 cm^3
• Polarizability: 12.366833 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 0.84

Product Information

• Purity: 95%