(2-bromoethyl)dimethylamine hydrobromide

• ChemBase ID: 68834
• Molecular Formular: C4H11Br2N
• Molecular Mass: 232.94484
• Monoisotopic Mass: 230.92582336
• SMILES: N(C)(C)CCBr.Br
• Canonical SMILES: BrCCN(C)C.Br
• InChI: InChI=1S/C4H10BrN.BrH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
• InChIKey: MFRUVSDIZTZFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethyl)dimethylamine hydrobromide
• IUPAC Traditional name: (2-bromoethyl)dimethylamine hydrobromide
• Synonyms: (2-Bromoethyl)dimethylamine hydrobromide

Database IDs

• CAS Number: 2862-39-7
• MDL Number: MFCD00040375
• PubChem SID: 162034564
• PubChem CID: 45791347

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.86071336
• LogD (pH = 7.4): 0.73604584
• Log P: 1.0401546
• Molar Refractivity: 32.3149 cm^3
• Polarizability: 12.367952 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.75

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%