4-(bromomethyl)-N,N-dimethylaniline hydrobromide

• ChemBase ID: 262175
• Molecular Formular: C9H13Br2N
• Molecular Mass: 295.01422
• Monoisotopic Mass: 292.94147342
• SMILES: c1(N(C)C)ccc(cc1)CBr.Br
• Canonical SMILES: BrCc1ccc(cc1)N(C)C.Br
• InChI: InChI=1S/C9H12BrN.BrH/c1-11(2)9-5-3-8(7-10)4-6-9;/h3-6H,7H2,1-2H3;1H
• InChIKey: WEGMBLHSAUWHFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)-N,N-dimethylaniline hydrobromide
• IUPAC Traditional name: 4-(bromomethyl)-N,N-dimethylaniline hydrobromide
• Synonyms: 4-(bromomethyl)-N,N-dimethylaniline hydrobromide

Database IDs

• MDL Number: MFCD13195837
• PubChem SID: 164318085
• PubChem CID: 45791991

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7618904
• LogD (pH = 7.4): 2.8527365
• Log P: 2.854027
• Molar Refractivity: 53.337 cm^3
• Polarizability: 19.621037 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 3.089

Product Information

• Purity: 95%