5-bromo-4,6-dimethylpyridin-2-amine

• ChemBase ID: 80029
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(c(c(cc1N)C)Br)C
• Canonical SMILES: Nc1cc(C)c(c(n1)C)Br
• InChI: InChI=1S/C7H9BrN2/c1-4-3-6(9)10-5(2)7(4)8/h3H,1-2H3,(H2,9,10)
• InChIKey: BFRMYMFNSHASRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4,6-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-4,6-dimethylpyridin-2-amine
• Synonyms: 3-Bromo-2,4-dimethylpyridin-6-amine; 6-Amino-3-bromo-2,4-dimethylpyridine; 5-Bromo-4,6-dimethyl-2-pyridinamine; 6-Amino-3-bromo-2,4-lutidine; 2-Amino-5-bromo-4,6-dimethylpyridine; 2-Amino-4,6-dimethyl-5-bromopyridine; 2-Amino-5-bromo-4,6-dimethylpyridine; 5-Bromo-4,6-dimethylpyridin-2-amine; 2-Amino-5-bromo-4,6-dimethylpyridine; 5-bromo-4,6-dimethylpyridin-2-amine; 2-AMINO-5-BROMO-4 6-DIMETHYLPYRIDINE; 5-溴-4,6-二甲基-2-吡啶胺; 6-氨基-3-溴-2,4-二甲基吡啶; 2-氨基-5-溴-4,6-二甲基吡啶

Database IDs

• CAS Number: 89856-44-0
• MDL Number: MFCD00151793
• PubChem SID: 24882610; 162067149
• PubChem CID: 11030855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6462788
• LogD (pH = 7.4): 1.8236547
• Log P: 1.9346491
• Molar Refractivity: 46.1705 cm^3
• Polarizability: 16.934221 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: White Powder
• Melting Point: 144-148 °C(lit.); 147 - 149°C; 190-192°C
• Hydrophobicity(logP): 2.302

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Light Sensitive
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41-43
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H317-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C7H9BrN2

DETAILS

Sigma Aldrich - 634204

Packaging
1, 5 g in glass bottle