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

• ChemBase ID: 49214
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n1c(c(cc(c1)Br)C)NC
• Canonical SMILES: CNc1ncc(cc1C)Br
• InChI: InChI=1S/C7H9BrN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10)
• InChIKey: QTBNIBCNVQMGPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,3-dimethylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N,3-dimethylpyridin-2-amine
• Synonyms: N-(5-Bromo-3-methyl-2-pyridyl)methylamine; 5-Bromo-3-methyl-2-(methylamino)pyridine; 5-Bromo-N,3-dimethyl-2-pyridinamine; 5-溴-3-甲基-2-(甲基氨基)吡啶

Database IDs

• CAS Number: 245765-66-6
• MDL Number: MFCD10000482
• PubChem SID: 162053977
• PubChem CID: 18329367

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.885075
• LogD (pH = 7.4): 2.101314
• Log P: 2.104983
• Molar Refractivity: 47.0724 cm^3
• Polarizability: 17.002277 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-64°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%