nonanehydrazide

• ChemBase ID: 25811
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: C(=O)(NN)CCCCCCCC
• Canonical SMILES: CCCCCCCCC(=O)NN
• InChI: InChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-9(12)11-10/h2-8,10H2,1H3,(H,11,12)
• InChIKey: HMYRUXBSDBAVNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonanehydrazide
• IUPAC Traditional name: nonanehydrazide
• Synonyms: Nonanohydrazide

Database IDs

• MDL Number: MFCD01016560
• PubChem SID: 160989118
• PubChem CID: 235068

CALCULATED PROPERTIES

• Acid pKa: 13.615824
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0386305
• LogD (pH = 7.4): 2.0411513
• Log P: 2.0411837
• Molar Refractivity: 51.1829 cm^3
• Polarizability: 19.939974 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false