1-hydrazinylbutan-2-ol

• ChemBase ID: 28588
• Molecular Formular: C4H12N2O
• Molecular Mass: 104.15088
• Monoisotopic Mass: 104.09496301
• SMILES: N(N)CC(O)CC
• Canonical SMILES: CCC(CNN)O
• InChI: InChI=1S/C4H12N2O/c1-2-4(7)3-6-5/h4,6-7H,2-3,5H2,1H3
• InChIKey: UIQGJTTVVCHBCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-hydrazinylbutan-2-ol
• IUPAC Traditional name: 1-hydrazinylbutan-2-ol
• Synonyms: 1-hydrazino-2-butanol; 1-Hydrazinobutan-2-ol

Database IDs

• CAS Number: 41470-19-3
• MDL Number: MFCD00089966
• PubChem SID: 160991895
• PubChem CID: 4113127

CALCULATED PROPERTIES

• Acid pKa: 14.859611
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.8102535
• LogD (pH = 7.4): -0.5652269
• Log P: -0.5611189
• Molar Refractivity: 40.1308 cm^3
• Polarizability: 11.572836 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false