3-(morpholin-4-yl)propanehydrazide

• ChemBase ID: 24264
• Molecular Formular: C7H15N3O2
• Molecular Mass: 173.2129
• Monoisotopic Mass: 173.11642674
• SMILES: C(=O)(CCN1CCOCC1)NN
• Canonical SMILES: NNC(=O)CCN1CCOCC1
• InChI: InChI=1S/C7H15N3O2/c8-9-7(11)1-2-10-3-5-12-6-4-10/h1-6,8H2,(H,9,11)
• InChIKey: DHHXMRKFJWOESU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)propanehydrazide
• IUPAC Traditional name: 3-(morpholin-4-yl)propanehydrazide
• Synonyms: 3-(4-Morpholinyl)propanohydrazide; 3-morpholinopropanehydrazide

Database IDs

• MDL Number: MFCD01838567
• PubChem SID: 160987571
• PubChem CID: 1678440

CALCULATED PROPERTIES

• Acid pKa: 12.989373
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.264733
• LogD (pH = 7.4): -1.693654
• Log P: -1.4167533
• Molar Refractivity: 46.1529 cm^3
• Polarizability: 17.78367 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false