diammonium decanedioate

• ChemBase ID: 107535
• Molecular Formular: C10H24N2O4
• Molecular Mass: 236.30856
• Monoisotopic Mass: 236.17360726
• SMILES: [NH4+].[NH4+].[O-]C(=O)CCCCCCCCC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CCCCCCCCC(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/C10H18O4.2H3N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);2*1H3
• InChIKey: SATJMZAWJRWBRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium decanedioate
• IUPAC Traditional name: diammonium 1,10-decanedioate
• Synonyms: AMMONIUM SEBACATE

Database IDs

• CAS Number: 19402-63-2
• PubChem SID: 162093525
• PubChem CID: 25021252

CALCULATED PROPERTIES

• Acid pKa: 4.720087
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0629376
• LogD (pH = 7.4): -2.4331248
• Log P: 2.268929
• Molar Refractivity: 72.8172 cm^3
• Polarizability: 20.010502 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05204096

MP Biomedicals Rare Chemical collection