(4-bromobutyl)diethylamine hydrobromide

• ChemBase ID: 285523
• Molecular Formular: C8H19Br2N
• Molecular Mass: 289.05116
• Monoisotopic Mass: 286.98842361
• SMILES: N(CC)(CC)CCCCBr.Br
• Canonical SMILES: BrCCCCN(CC)CC.Br
• InChI: InChI=1S/C8H18BrN.BrH/c1-3-10(4-2)8-6-5-7-9;/h3-8H2,1-2H3;1H
• InChIKey: NGJQLNOUGAUWCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21602539
• PubChem SID: 180671054
• PubChem CID: 73994695

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1501765
• LogD (pH = 7.4): -0.49242967
• Log P: 2.3310928
• Molar Refractivity: 51.3221 cm^3
• Polarizability: 19.621624 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.516

Product Information

• Purity: 95%