N-methylcyclopropanamine hydrochloride

• ChemBase ID: 70971
• Molecular Formular: C4H10ClN
• Molecular Mass: 107.5819
• Monoisotopic Mass: 107.05017701
• SMILES: C1(CC1)NC.Cl
• Canonical SMILES: CNC1CC1.Cl
• InChI: InChI=1S/C4H9N.ClH/c1-5-4-2-3-4;/h4-5H,2-3H2,1H3;1H
• InChIKey: YCWKZLXTHMGYAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclopropanamine hydrochloride
• IUPAC Traditional name: N-methylcyclopropanamine hydrochloride
• Synonyms: N-Cyclopropylmethylamine hydrochloride; N-Methylcyclopropanamine hydrochloride; N-cyclopropyl-N-methylamine hydrochloride

Database IDs

• CAS Number: 67376-94-7
• MDL Number: MFCD09997746
• PubChem SID: 162036679
• PubChem CID: 18546974

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9536657
• LogD (pH = 7.4): -2.3767674
• Log P: 0.27268606
• Molar Refractivity: 21.9046 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.164

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%