ammonium dodecanoate

• ChemBase ID: 109166
• Molecular Formular: C12H27NO2
• Molecular Mass: 217.34828
• Monoisotopic Mass: 217.20417911
• SMILES: [NH4+].CCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCC(=O)[O-].[NH4+]
• InChI: InChI=1S/C12H24O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);1H3
• InChIKey: VJCJAQSLASCYAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ammonium dodecanoate
• IUPAC Traditional name: ammonium laurate
• Synonyms: AMMONIUM LAURATE

Database IDs

• CAS Number: 2437-23-2
• EC Number: 219-439-6
• PubChem SID: 162096092
• PubChem CID: 159661

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8225026
• LogD (pH = 7.4): 2.0633676
• Log P: 4.478308
• Molar Refractivity: 69.5167 cm^3
• Polarizability: 23.230707 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210086

MP Biomedicals Rare Chemical collection