2-cyclopropylethan-1-amine hydrochloride

• ChemBase ID: 283929
• Molecular Formular: C5H12ClN
• Molecular Mass: 121.60848
• Monoisotopic Mass: 121.06582707
• SMILES: C1CC1CCN.Cl
• Canonical SMILES: NCCC1CC1.Cl
• InChI: InChI=1S/C5H11N.ClH/c6-4-3-5-1-2-5;/h5H,1-4,6H2;1H
• InChIKey: BFPCWNJLKUBDAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylethan-1-amine hydrochloride
• IUPAC Traditional name: 2-cyclopropylethanamine hydrochloride
• Synonyms: 2-cyclopropylethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD14525749
• PubChem SID: 180669460
• PubChem CID: 21916080

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.502083
• LogD (pH = 7.4): -2.077333
• Log P: 0.52173334
• Molar Refractivity: 26.5388 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 0.838

Product Information

• Purity: 95%