cyclohexanecarbohydrazide

• ChemBase ID: 25815
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: C(=O)(NN)C1CCCCC1
• Canonical SMILES: NNC(=O)C1CCCCC1
• InChI: InChI=1S/C7H14N2O/c8-9-7(10)6-4-2-1-3-5-6/h6H,1-5,8H2,(H,9,10)
• InChIKey: HUYREUUJFLHEDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexanecarbohydrazide
• IUPAC Traditional name: cyclohexanecarbohydrazide
• Synonyms: Cyclohexanecarbohydrazide

Database IDs

• CAS Number: 38941-47-8
• MDL Number: MFCD01357897
• PubChem SID: 160989122
• PubChem CID: 240039

CALCULATED PROPERTIES

• Acid pKa: 13.259256
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.78422296
• LogD (pH = 7.4): 0.78670585
• Log P: 0.7867382
• Molar Refractivity: 40.1522 cm^3
• Polarizability: 15.533293 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false