(1-ethylcyclopropyl)methanamine hydrochloride

• ChemBase ID: 235381
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC1)(CN)CC.Cl
• Canonical SMILES: CCC1(CN)CC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-2-6(5-7)3-4-6;/h2-5,7H2,1H3;1H
• InChIKey: VAURKGXRHQSYTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09864488
• PubChem SID: 164291291
• PubChem CID: 71755499

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0373864
• LogD (pH = 7.4): -1.4160246
• Log P: 0.9776879
• Molar Refractivity: 30.8599 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 234 - 236°C
• Hydrophobicity(logP): 1.357

Product Information

• Purity: 95%