11-bromoundecanamide

• ChemBase ID: 142213
• Molecular Formular: C11H22BrNO
• Molecular Mass: 264.20248
• Monoisotopic Mass: 263.08847633
• SMILES: C(CCCCCBr)CCCCC(=O)N
• Canonical SMILES: BrCCCCCCCCCCC(=O)N
• InChI: InChI=1S/C11H22BrNO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H2,13,14)
• InChIKey: NHUWVMSJSKNFHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-bromoundecanamide
• IUPAC Traditional name: 11-bromoundecanamide
• Synonyms: 11-Bromoundecanamide; 11-溴十一胺

Database IDs

• CAS Number: 5875-26-3
• MDL Number: MFCD06411366
• PubChem SID: 24883386; 162236443
• PubChem CID: 345548

CALCULATED PROPERTIES

• Acid pKa: 16.88392
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.330205
• LogD (pH = 7.4): 3.3302054
• Log P: 3.3302054
• Molar Refractivity: 63.864 cm^3
• Polarizability: 24.866844 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-92 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36

Product Information

• Purity: 97%
• Linear Formula: Br(CH2)10CONH2

DETAILS

Sigma Aldrich - 645567

Packaging
1, 10 g in glass bottle