N-methylcyclopropanamine

• ChemBase ID: 64029
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: C1(CC1)NC
• Canonical SMILES: CNC1CC1
• InChI: InChI=1S/C4H9N/c1-5-4-2-3-4/h4-5H,2-3H2,1H3
• InChIKey: VEBLEROFGPOMPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclopropanamine
• IUPAC Traditional name: N-methylcyclopropanamine
• Synonyms: N-Methylcyclopropanamine

Database IDs

• CAS Number: 5163-20-2
• MDL Number: MFCD00045391
• PubChem SID: 162029768
• PubChem CID: 11029756

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%