N,N-bis(2-hydroxyethyl)dodecanamide

• ChemBase ID: 107602
• Molecular Formular: C16H33NO3
• Molecular Mass: 287.43812
• Monoisotopic Mass: 287.24604392
• SMILES: CCCCCCCCCCCC(=O)N(CCO)CCO
• Canonical SMILES: CCCCCCCCCCCC(=O)N(CCO)CCO
• InChI: InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3
• InChIKey: AOMUHOFOVNGZAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(2-hydroxyethyl)dodecanamide
• IUPAC Traditional name: N,N-bis(2-hydroxyethyl)dodecanamide
• Synonyms: N,N-Bis(2-hydroxyethyl)dodecanamide; LAURYL DIETHANOLAMIDE

Database IDs

• CAS Number: 120-40-1
• EC Number: 204-393-1
• MDL Number: MFCD00045982
• PubChem SID: 162094116
• PubChem CID: 8430

CALCULATED PROPERTIES

• Acid pKa: 15.273095
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7385135
• LogD (pH = 7.4): 2.7385137
• Log P: 2.7385137
• Molar Refractivity: 82.8798 cm^3
• Polarizability: 32.645264 Å^3
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: JR1925000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36
• Safety Statements: S:26

Product Information

• Purity: 95+%