1-hydrazinylpropan-2-ol

• ChemBase ID: 28589
• Molecular Formular: C3H10N2O
• Molecular Mass: 90.1243
• Monoisotopic Mass: 90.07931295
• SMILES: N(N)CC(O)C
• Canonical SMILES: CC(CNN)O
• InChI: InChI=1S/C3H10N2O/c1-3(6)2-5-4/h3,5-6H,2,4H2,1H3
• InChIKey: OWXTVVMIMIRMLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydrazinylpropan-2-ol
• IUPAC Traditional name: 1-hydrazinylpropan-2-ol
• Synonyms: 1-hydrazino-2-propanol; 1-Hydrazinopropan-2-ol

Database IDs

• CAS Number: 18501-20-7
• MDL Number: MFCD09972046
• PubChem SID: 160991896
• PubChem CID: 236167

CALCULATED PROPERTIES

• Acid pKa: 15.249444
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.3331286
• LogD (pH = 7.4): -1.0877566
• Log P: -1.0836413
• Molar Refractivity: 35.6068 cm^3
• Polarizability: 9.736402 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false