N-(8-aminooctyl)-2-bromoacetamide

• ChemBase ID: 32380
• Molecular Formular: C10H21BrN2O
• Molecular Mass: 265.19054
• Monoisotopic Mass: 264.0837253
• SMILES: C(=O)(NCCCCCCCCN)CBr
• Canonical SMILES: NCCCCCCCCNC(=O)CBr
• InChI: InChI=1S/C10H21BrN2O/c11-9-10(14)13-8-6-4-2-1-3-5-7-12/h1-9,12H2,(H,13,14)
• InChIKey: NXGCGEBEWPKISI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(8-aminooctyl)-2-bromoacetamide
• IUPAC Traditional name: N-(8-aminooctyl)-2-bromoacetamide
• Synonyms: N-(8-Aminooctyl)-2-bromoacetamide

Database IDs

• MDL Number: MFCD12026655
• PubChem SID: 160995687
• PubChem CID: 46736699

CALCULATED PROPERTIES

• Acid pKa: 13.77464
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5491474
• LogD (pH = 7.4): -1.1293496
• Log P: 1.47484
• Molar Refractivity: 62.9631 cm^3
• Polarizability: 24.578642 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false