2-bromo-N-hexadecylacetamide

• ChemBase ID: 32223
• Molecular Formular: C18H36BrNO
• Molecular Mass: 362.38854
• Monoisotopic Mass: 361.19802678
• SMILES: C(=O)(NCCCCCCCCCCCCCCCC)CBr
• Canonical SMILES: CCCCCCCCCCCCCCCCNC(=O)CBr
• InChI: InChI=1S/C18H36BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(21)17-19/h2-17H2,1H3,(H,20,21)
• InChIKey: SEFRJSBFZDHSLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-hexadecylacetamide
• IUPAC Traditional name: 2-bromo-N-hexadecylacetamide
• Synonyms: 2-Bromo-N-hexadecylacetamide

Database IDs

• CAS Number: 1138445-61-0
• MDL Number: MFCD12026521
• PubChem SID: 160995530
• PubChem CID: 46736577

CALCULATED PROPERTIES

• Acid pKa: 13.673013
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.5749497
• LogD (pH = 7.4): 6.5749497
• Log P: 6.5749497
• Molar Refractivity: 96.1849 cm^3
• Polarizability: 37.67607 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%