2-bromo-N,N-dimethylpyridin-4-amine

• ChemBase ID: 70222
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: c1(cc(ccn1)N(C)C)Br
• Canonical SMILES: Brc1nccc(c1)N(C)C
• InChI: InChI=1S/C7H9BrN2/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3
• InChIKey: XEBMNCFTJBFRJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N,N-dimethylpyridin-4-amine
• IUPAC Traditional name: 2-bromo-N,N-dimethylpyridin-4-amine
• Synonyms: 2-Bromo-N,N-dimethylpyridine-4-amine; 2-bromo-N,N-dimethylpyridin-4-amine; 2-Bromo-N,N-dimethylpyridin-4-amine; 2-Bromo-4-(dimethylamino)pyridine

Database IDs

• CAS Number: 396092-82-3
• MDL Number: MFCD11036210
• PubChem SID: 162035945
• PubChem CID: 11745678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.685731
• LogD (pH = 7.4): 1.8355719
• Log P: 1.8378919
• Molar Refractivity: 46.7947 cm^3
• Polarizability: 17.116354 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.307

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%