(4-bromobutyl)dimethylamine hydrobromide

• ChemBase ID: 281357
• Molecular Formular: C6H15Br2N
• Molecular Mass: 260.998
• Monoisotopic Mass: 258.95712349
• SMILES: N(CCCCBr)(C)C.Br
• Canonical SMILES: BrCCCCN(C)C.Br
• InChI: InChI=1S/C6H14BrN.BrH/c1-8(2)6-4-3-5-7;/h3-6H2,1-2H3;1H
• InChIKey: HMSRQQXMLDRXBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromobutyl)dimethylamine hydrobromide
• IUPAC Traditional name: (4-bromobutyl)dimethylamine hydrobromide
• Synonyms: (4-bromobutyl)dimethylamine hydrobromide

Database IDs

• MDL Number: MFCD20441623
• PubChem SID: 180666888
• PubChem CID: 54595417

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.818347
• LogD (pH = 7.4): -0.7411082
• Log P: 1.6174769
• Molar Refractivity: 41.8249 cm^3
• Polarizability: 15.982837 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 1.458

Product Information

• Purity: 95%