N-benzyl-5-bromo-N-methylpyridin-2-amine

• ChemBase ID: 48664
• Molecular Formular: C13H13BrN2
• Molecular Mass: 277.15972
• Monoisotopic Mass: 276.02621043
• SMILES: n1c(N(Cc2ccccc2)C)ccc(c1)Br
• Canonical SMILES: Brc1ccc(nc1)N(Cc1ccccc1)C
• InChI: InChI=1S/C13H13BrN2/c1-16(10-11-5-3-2-4-6-11)13-8-7-12(14)9-15-13/h2-9H,10H2,1H3
• InChIKey: WVDSURJOVZYTTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-bromo-N-methylpyridin-2-amine
• IUPAC Traditional name: N-benzyl-5-bromo-N-methylpyridin-2-amine
• Synonyms: 5-Bromo-2-(N-methyl-N-benzylamino)pyridine; N-Benzyl-5-bromo-N-methyl-2-pyridinamine; 5-溴-2-(N-甲基-N-苄胺基)吡啶

Database IDs

• CAS Number: 1187386-36-2
• MDL Number: MFCD12913988
• PubChem SID: 162053427
• PubChem CID: 46739785

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8966055
• LogD (pH = 7.4): 3.9505641
• Log P: 3.9513006
• Molar Refractivity: 70.8786 cm^3
• Polarizability: 26.543371 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 95%