decanediamide

• ChemBase ID: 136755
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C(CCCCC(=O)N)CCCC(=O)N
• Canonical SMILES: NC(=O)CCCCCCCCC(=O)N
• InChI: InChI=1S/C10H20N2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2,(H2,11,13)(H2,12,14)
• InChIKey: VDBXLXRWMYNMHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decanediamide
• IUPAC Traditional name: decanediamide
• Synonyms: Decanediamide; Sebacamide; 癸二酰胺; 癸二酰胺

Database IDs

• CAS Number: 1740-54-1
• MDL Number: MFCD00075456
• PubChem SID: 162231024
• PubChem CID: 72882

CALCULATED PROPERTIES

• Acid pKa: 16.652273
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.65504307
• LogD (pH = 7.4): 0.6550438
• Log P: 0.6550438
• Molar Refractivity: 54.7874 cm^3
• Polarizability: 21.578531 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 85%
• Grade: technical grade
• Impurities: 15% sebacic acid
• Empirical Formula (Hill Notation): C10H20N2O2