5-bromo-3,4-dimethylpyridin-2-amine

• ChemBase ID: 294187
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: Cc1c(C)c(N)ncc1Br
• Canonical SMILES: Brc1cnc(c(c1C)C)N
• InChI: InChI=1S/C7H9BrN2/c1-4-5(2)7(9)10-3-6(4)8/h3H,1-2H3,(H2,9,10)
• InChIKey: YAVKJNIMFGZBSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3,4-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-3,4-dimethylpyridin-2-amine
• Synonyms: 5-Bromo-3,4-dimethylpyridin-2-amine; 5-Bromo-3,4-dimethyl-2-pyridinamine; 2-Amino-5-bromo-3,4-dimethylpyridine; 2-氨基-5-溴-3,4-二甲基吡啶

Database IDs

• CAS Number: 374537-97-0
• EC Number: 000-000-0
• MDL Number: MFCD02093947
• PubChem SID: 180679718
• PubChem CID: 7010307

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4634253
• LogD (pH = 7.4): 2.2765768
• Log P: 2.3167005
• Molar Refractivity: 46.6202 cm^3
• Polarizability: 16.932888 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 133-135°C

Safety Information

• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 9-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%