benzyl(4-bromobutyl)(propan-2-yl)amine hydrobromide

• ChemBase ID: 286443
• Molecular Formular: C14H23Br2N
• Molecular Mass: 365.14712
• Monoisotopic Mass: 363.01972374
• SMILES: N(Cc1ccccc1)(C(C)C)CCCCBr.Br
• Canonical SMILES: BrCCCCN(C(C)C)Cc1ccccc1.Br
• InChI: InChI=1S/C14H22BrN.BrH/c1-13(2)16(11-7-6-10-15)12-14-8-4-3-5-9-14;/h3-5,8-9,13H,6-7,10-12H2,1-2H3;1H
• InChIKey: WJJZOOYBKCEACI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(4-bromobutyl)(propan-2-yl)amine hydrobromide
• IUPAC Traditional name: benzyl(4-bromobutyl)isopropylamine hydrobromide
• Synonyms: benzyl(4-bromobutyl)propan-2-ylamine hydrobromide

Database IDs

• MDL Number: MFCD21602809
• PubChem SID: 180671974
• PubChem CID: 73994869

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6485309
• LogD (pH = 7.4): 1.4931545
• Log P: 4.115333
• Molar Refractivity: 75.6049 cm^3
• Polarizability: 29.144743 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): 4.254

Product Information

• Purity: 95%