N-methoxycyclopropanamine

• ChemBase ID: 812310
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: N(OC)C1CC1
• Canonical SMILES: CONC1CC1
• InChI: InChI=1S/C4H9NO/c1-6-5-4-2-3-4/h4-5H,2-3H2,1H3
• InChIKey: LWDPMXFZVKVKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxycyclopropanamine
• IUPAC Traditional name: N-methoxycyclopropanamine
• Synonyms: CYCLOPROPYL METHOXYLAMINE

Database IDs

• CAS Number: 75647-90-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.19444463
• LogD (pH = 7.4): 0.32476237
• Log P: 0.32670495
• Molar Refractivity: 33.8697 cm^3
• Polarizability: 9.589044 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%