pentanedihydrazide

• ChemBase ID: 57173
• Molecular Formular: C5H12N4O2
• Molecular Mass: 160.17438
• Monoisotopic Mass: 160.09602564
• SMILES: C(=O)(NN)CCCC(=O)NN
• Canonical SMILES: NNC(=O)CCCC(=O)NN
• InChI: InChI=1S/C5H12N4O2/c6-8-4(10)2-1-3-5(11)9-7/h1-3,6-7H2,(H,8,10)(H,9,11)
• InChIKey: LGYJSPMYALQHBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentanedihydrazide
• IUPAC Traditional name: pentanedihydrazide
• Synonyms: Pentanedihydrazide; GLUTARIC DIHYDRAZIDE

Database IDs

• CAS Number: 1508-67-4
• MDL Number: MFCD00025136
• PubChem SID: 162061936
• PubChem CID: 3958848

CALCULATED PROPERTIES

• Acid pKa: 12.558295
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.1658578
• LogD (pH = 7.4): -2.1608183
• Log P: -2.1607509
• Molar Refractivity: 40.7506 cm^3
• Polarizability: 15.301723 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

DETAILS

MP Biomedicals - 05206165

MP Biomedicals Rare Chemical collection