(1-methylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 286250
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C1(CC1)(CN)C.Cl
• Canonical SMILES: NCC1(C)CC1.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-5(4-6)2-3-5;/h2-4,6H2,1H3;1H
• InChIKey: SSAZHJCPZLEHSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methylcyclopropyl)methanamine hydrochloride
• IUPAC Traditional name: (1-methylcyclopropyl)methanamine hydrochloride
• Synonyms: (1-methylcyclopropyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD12962560
• PubChem SID: 180671781
• PubChem CID: 53399270

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4822736
• LogD (pH = 7.4): -1.8666445
• Log P: 0.53311926
• Molar Refractivity: 26.2589 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 0.828

Product Information

• Purity: 95%