N,N'-dihydroxydecanediamide

• ChemBase ID: 75135
• Molecular Formular: C10H20N2O4
• Molecular Mass: 232.2768
• Monoisotopic Mass: 232.14230713
• SMILES: ONC(=O)CCCCCCCCC(=O)NO
• Canonical SMILES: ONC(=O)CCCCCCCCC(=O)NO
• InChI: InChI=1S/C10H20N2O4/c13-9(11-15)7-5-3-1-2-4-6-8-10(14)12-16/h15-16H,1-8H2,(H,11,13)(H,12,14)
• InChIKey: FMFRFPZGENUMQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dihydroxydecanediamide
• IUPAC Traditional name: N,N'-dihydroxydecanediamide
• Synonyms: Octane-1,8-dihydroxamic acid (ODHA)

Database IDs

• CAS Number: 38937-66-5
• MDL Number: MFCD07371370
• PubChem SID: 162040053
• PubChem CID: 356339

CALCULATED PROPERTIES

• Acid pKa: 8.606508
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 0.64834213
• LogD (pH = 7.4): 0.6222231
• Log P: 0.6486803
• Molar Refractivity: 58.3166 cm^3
• Polarizability: 22.903479 Å^3
• Polar Surface Area: 98.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true