aminomethanol

• ChemBase ID: 128310
• Molecular Formular: CH5NO
• Molecular Mass: 47.0565
• Monoisotopic Mass: 47.03711379
• SMILES: OCN
• Canonical SMILES: NCO
• InChI: InChI=1S/CH5NO/c2-1-3/h3H,1-2H2
• InChIKey: XMYQHJDBLRZMLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: aminomethanol
• IUPAC Traditional name: methanolamine
• Synonyms: Methanolamine; Methanolamine

Database IDs

• CAS Number: 3088-27-5
• PubChem SID: 162222618
• PubChem CID: 6420096
• Chemspider ID: 4925662
• Wikipedia Title: Methanolamine

CALCULATED PROPERTIES

• Acid pKa: 15.347494
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.141769
• LogD (pH = 7.4): -2.927224
• Log P: -1.20546
• Molar Refractivity: 11.0206 cm^3
• Polarizability: 4.7371387 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid