(1-aminocyclopropyl)methanol

• ChemBase ID: 64058
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: C1CC1(N)CO
• Canonical SMILES: OCC1(N)CC1
• InChI: InChI=1S/C4H9NO/c5-4(3-6)1-2-4/h6H,1-3,5H2
• InChIKey: OBMKZINZPBARIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminocyclopropyl)methanol
• IUPAC Traditional name: (1-aminocyclopropyl)methanol
• Synonyms: (1-Aminocyclopropyl)methanol; 1-Aminocyclopropanemethanol

Database IDs

• CAS Number: 107017-72-1
• MDL Number: MFCD01318221
• PubChem SID: 162029797
• PubChem CID: 14146220

CALCULATED PROPERTIES

• Acid pKa: 14.7846155
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9287434
• LogD (pH = 7.4): -3.128866
• Log P: -0.9262276
• Molar Refractivity: 23.3119 cm^3
• Polarizability: 9.517664 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%