4-bromo-N,N,2,6-tetramethylaniline

• ChemBase ID: 83379
• Molecular Formular: C10H14BrN
• Molecular Mass: 228.12886
• Monoisotopic Mass: 227.03096145
• SMILES: N(c1c(cc(cc1C)Br)C)(C)C
• Canonical SMILES: CN(c1c(C)cc(cc1C)Br)C
• InChI: InChI=1S/C10H14BrN/c1-7-5-9(11)6-8(2)10(7)12(3)4/h5-6H,1-4H3
• InChIKey: NDDKEDQKCHIHMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-N,N,2,6-tetramethylaniline
• IUPAC Traditional name: 4-bromo-N,N,2,6-tetramethylaniline
• Synonyms: 4-Bromo-N,N-dimethyl-2,6-xylidine; 4-Bromo-N,N,2,6-tetramethylaniline; N1,N1,2,6-tetramethyl-4-bromoaniline; 4-溴-N,N,2,6-四甲基苯胺

Database IDs

• CAS Number: 50638-54-5
• MDL Number: MFCD00100113
• PubChem SID: 162070497
• PubChem CID: 142731

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7779014
• LogD (pH = 7.4): 3.8754876
• Log P: 3.8768852
• Molar Refractivity: 58.1918 cm^3
• Polarizability: 21.39603 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%