oxane-4-carbohydrazide

• ChemBase ID: 60110
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: C1COCCC1C(=O)NN
• Canonical SMILES: NNC(=O)C1CCOCC1
• InChI: InChI=1S/C6H12N2O2/c7-8-6(9)5-1-3-10-4-2-5/h5H,1-4,7H2,(H,8,9)
• InChIKey: UBBSHXCLOFHQHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxane-4-carbohydrazide
• IUPAC Traditional name: oxane-4-carbohydrazide
• Synonyms: Tetrahydro-2H-pyran-4-carbohydrazide

Database IDs

• CAS Number: 59293-18-4
• MDL Number: MFCD09752016
• PubChem SID: 162025851
• PubChem CID: 28064717

CALCULATED PROPERTIES

• Acid pKa: 12.871542
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.908272
• LogD (pH = 7.4): -0.90579134
• Log P: -0.9057582
• Molar Refractivity: 37.7007 cm^3
• Polarizability: 14.42564 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false