1-(1-methylcyclopropyl)ethan-1-amine hydrochloride

• ChemBase ID: 255283
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: C1(CC1)(C(N)C)C.Cl
• Canonical SMILES: CC(C1(C)CC1)N.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-5(7)6(2)3-4-6;/h5H,3-4,7H2,1-2H3;1H
• InChIKey: OBBAHKOGEPSVMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methylcyclopropyl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(1-methylcyclopropyl)ethanamine hydrochloride
• Synonyms: 1-(1-methylcyclopropyl)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD09971518
• PubChem SID: 164311193
• PubChem CID: 43810559

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0730958
• LogD (pH = 7.4): -1.6198089
• Log P: 0.9496943
• Molar Refractivity: 30.6777 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224 - 226°C
• Hydrophobicity(logP): 1.137

Product Information

• Purity: 95%