2-bromo-N-[2-methyl-2-(morpholin-4-yl)propyl]acetamide hydrobromide

• ChemBase ID: 236236
• Molecular Formular: C10H20Br2N2O2
• Molecular Mass: 360.086
• Monoisotopic Mass: 357.98915189
• SMILES: N1(C(CNC(=O)CBr)(C)C)CCOCC1.Br
• Canonical SMILES: BrCC(=O)NCC(N1CCOCC1)(C)C.Br
• InChI: InChI=1S/C10H19BrN2O2.BrH/c1-10(2,8-12-9(14)7-11)13-3-5-15-6-4-13;/h3-8H2,1-2H3,(H,12,14);1H
• InChIKey: KUSVYMSJFVAMIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-[2-methyl-2-(morpholin-4-yl)propyl]acetamide hydrobromide
• IUPAC Traditional name: 2-bromo-N-[2-methyl-2-(morpholin-4-yl)propyl]acetamide hydrobromide
• Synonyms: 2-bromo-N-[2-methyl-2-(morpholin-4-yl)propyl]acetamide hydrobromide

Database IDs

• MDL Number: MFCD22196541
• PubChem SID: 164292146
• PubChem CID: 71755668

CALCULATED PROPERTIES

• Acid pKa: 13.405771
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17358416
• LogD (pH = 7.4): 0.40950665
• Log P: 0.41352257
• Molar Refractivity: 63.2499 cm^3
• Polarizability: 24.637667 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 0.985

Product Information

• Purity: 95%