(2-methylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 257770
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C1C(C1C)CN.Cl
• Canonical SMILES: CC1CC1CN.Cl
• InChI: InChI=1S/C5H11N.ClH/c1-4-2-5(4)3-6;/h4-5H,2-3,6H2,1H3;1H
• InChIKey: REMRAVQKDKDHNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylcyclopropyl)methanamine hydrochloride
• IUPAC Traditional name: (2-methylcyclopropyl)methanamine hydrochloride
• Synonyms: (2-methylcyclopropyl)methylamine hydrochloride

Database IDs

• MDL Number: MFCD11505542
• PubChem SID: 164313680
• PubChem CID: 42944929

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5819852
• LogD (pH = 7.4): -2.1661425
• Log P: 0.4421375
• Molar Refractivity: 26.4094 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: 219 - 221°C
• Hydrophobicity(logP): 0.828

Product Information

• Purity: 95%