1,2-diaminopropan-2-ol

• ChemBase ID: 278638
• Molecular Formular: C3H10N2O
• Molecular Mass: 90.1243
• Monoisotopic Mass: 90.07931295
• SMILES: C(N)(O)(CN)C
• Canonical SMILES: NCC(O)(N)C
• InChI: InChI=1S/C3H10N2O/c1-3(5,6)2-4/h6H,2,4-5H2,1H3
• InChIKey: IGMXCAJKKAOULS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-diaminopropan-2-ol
• IUPAC Traditional name: 1,2-diaminopropan-2-ol
• Synonyms: 1,2-diaminopropan-2-ol

Database IDs

• MDL Number: MFCD19207794
• PubChem SID: 164334548
• PubChem CID: 17864655

CALCULATED PROPERTIES

• Acid pKa: 13.694595
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.448574
• LogD (pH = 7.4): -3.299017
• Log P: -1.5386039
• Molar Refractivity: 23.9203 cm^3
• Polarizability: 9.931533 Å^3
• Polar Surface Area: 72.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.758

Product Information

• Purity: 95%