heptanehydrazide

• ChemBase ID: 25809
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(NN)CCCCCC
• Canonical SMILES: CCCCCCC(=O)NN
• InChI: InChI=1S/C7H16N2O/c1-2-3-4-5-6-7(10)9-8/h2-6,8H2,1H3,(H,9,10)
• InChIKey: FAWGDZUNQZJISX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptanehydrazide
• IUPAC Traditional name: heptanoic acid hydrazide
• Synonyms: Heptanohydrazide

Database IDs

• MDL Number: MFCD00464179
• PubChem SID: 160989116
• PubChem CID: 240032

CALCULATED PROPERTIES

• Acid pKa: 13.5531025
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1494931
• LogD (pH = 7.4): 1.1520139
• Log P: 1.1520464
• Molar Refractivity: 41.9809 cm^3
• Polarizability: 16.25765 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false