(3-bromopropyl)diethylamine hydrobromide

• ChemBase ID: 268557
• Molecular Formular: C7H17Br2N
• Molecular Mass: 275.02458
• Monoisotopic Mass: 272.97277355
• SMILES: N(CCCBr)(CC)CC.Br
• Canonical SMILES: BrCCCN(CC)CC.Br
• InChI: InChI=1S/C7H16BrN.BrH/c1-3-9(4-2)7-5-6-8;/h3-7H2,1-2H3;1H
• InChIKey: KAELPAFGRTUXOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromopropyl)diethylamine hydrobromide
• IUPAC Traditional name: (3-bromopropyl)diethylamine hydrobromide
• Synonyms: (3-bromopropyl)diethylamine hydrobromide

Database IDs

• MDL Number: MFCD11109989
• PubChem SID: 164324467
• PubChem CID: 12639158

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1873664
• LogD (pH = 7.4): 0.52768904
• Log P: 1.8137302
• Molar Refractivity: 46.6775 cm^3
• Polarizability: 17.800041 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67 - 69°C
• Hydrophobicity(logP): 2.137

Product Information

• Purity: 95%