nonanedihydrazide

• ChemBase ID: 92475
• Molecular Formular: C9H20N4O2
• Molecular Mass: 216.2807
• Monoisotopic Mass: 216.1586259
• SMILES: NNC(=O)CCCCCCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCCCCCC(=O)NN
• InChI: InChI=1S/C9H20N4O2/c10-12-8(14)6-4-2-1-3-5-7-9(15)13-11/h1-7,10-11H2,(H,12,14)(H,13,15)
• InChIKey: ZWLFGLCGZUVIEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonanedihydrazide
• IUPAC Traditional name: nonanedihydrazide
• Synonyms: Azelaic dihydrazide; Nonanedihydrazide 97%

Database IDs

• CAS Number: 4080-95-9
• MDL Number: MFCD00051529
• PubChem SID: 162079173
• PubChem CID: 77699

CALCULATED PROPERTIES

• Acid pKa: 12.693904
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.3875832
• LogD (pH = 7.4): -0.3825428
• Log P: -0.38247627
• Molar Refractivity: 59.1546 cm^3
• Polarizability: 22.60957 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true