4-bromo-N-propylpyridin-2-amine

• ChemBase ID: 290613
• Molecular Formular: C8H11BrN2
• Molecular Mass: 215.09034
• Monoisotopic Mass: 214.01056036
• SMILES: CCCNc1nccc(Br)c1
• Canonical SMILES: CCCNc1cc(Br)ccn1
• InChI: InChI=1S/C8H11BrN2/c1-2-4-10-8-6-7(9)3-5-11-8/h3,5-6H,2,4H2,1H3,(H,10,11)
• InChIKey: VNJNFEXFJXRNDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-N-propylpyridin-2-amine
• IUPAC Traditional name: 4-bromo-N-propylpyridin-2-amine
• Synonyms: 4-Bromo-N-propylpyridin-2-amine

Database IDs

• CAS Number: 1280786-74-4
• PubChem SID: 180676144
• PubChem CID: 53217440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1806428
• LogD (pH = 7.4): 2.4655573
• Log P: 2.470892
• Molar Refractivity: 51.3038 cm^3
• Polarizability: 18.88102 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%