3-hydroxypropanehydrazide

• ChemBase ID: 234816
• Molecular Formular: C3H8N2O2
• Molecular Mass: 104.10782
• Monoisotopic Mass: 104.05857751
• SMILES: C(=O)(CCO)NN
• Canonical SMILES: NNC(=O)CCO
• InChI: InChI=1S/C3H8N2O2/c4-5-3(7)1-2-6/h6H,1-2,4H2,(H,5,7)
• InChIKey: ABWKONTVVZNLEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxypropanehydrazide
• IUPAC Traditional name: 3-hydroxypropanehydrazide
• Synonyms: 3-hydroxypropanehydrazide

Database IDs

• MDL Number: MFCD18369434
• PubChem SID: 164290726
• PubChem CID: 269313

CALCULATED PROPERTIES

• Acid pKa: 12.785277
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.9082699
• LogD (pH = 7.4): -1.907017
• Log P: -1.9069993
• Molar Refractivity: 25.3516 cm^3
• Polarizability: 9.601488 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.006

Product Information

• Purity: 95%