1-methylcyclopropan-1-amine

• ChemBase ID: 288122
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: NC1(C)CC1
• Canonical SMILES: CC1(N)CC1
• InChI: InChI=1S/C4H9N/c1-4(5)2-3-4/h2-3,5H2,1H3
• InChIKey: VSRXAWSAKJABKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclopropan-1-amine
• IUPAC Traditional name: 1-methylcyclopropan-1-amine
• Synonyms: 1-Methylcyclopropanamine; (1-methylcyclopropyl)amine

Database IDs

• CAS Number: 22936-83-0
• MDL Number: MFCD11007844; MFCD11109576
• PubChem SID: 180673653
• PubChem CID: 11651149

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9047825
• LogD (pH = 7.4): -2.5303862
• Log P: 0.12068234
• Molar Refractivity: 21.7682 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%