heptanedihydrazide

• ChemBase ID: 57174
• Molecular Formular: C7H16N4O2
• Molecular Mass: 188.22754
• Monoisotopic Mass: 188.12732577
• SMILES: C(=O)(NN)CCCCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCCCC(=O)NN
• InChI: InChI=1S/C7H16N4O2/c8-10-6(12)4-2-1-3-5-7(13)11-9/h1-5,8-9H2,(H,10,12)(H,11,13)
• InChIKey: OXAGUPFRAIIDLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptanedihydrazide
• IUPAC Traditional name: heptanedihydrazide
• Synonyms: Heptanedihydrazide

Database IDs

• CAS Number: 13043-98-6
• MDL Number: MFCD00025138
• PubChem SID: 162061937
• PubChem CID: 284646

CALCULATED PROPERTIES

• Acid pKa: 12.72614
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -1.2767205
• LogD (pH = 7.4): -1.27168
• Log P: -1.2716136
• Molar Refractivity: 49.9526 cm^3
• Polarizability: 18.949347 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false