2-(4-bromopyridin-2-yl)ethan-1-amine

• ChemBase ID: 804492
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: NCCc1nccc(c1)Br
• Canonical SMILES: NCCc1cc(Br)ccn1
• InChI: InChI=1S/C7H9BrN2/c8-6-2-4-10-7(5-6)1-3-9/h2,4-5H,1,3,9H2
• InChIKey: UINYVOMZFGIYLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromopyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-bromopyridin-2-yl)ethanamine
• Synonyms: 2-(4-BROMO-PYRIDIN-2-YL)-ETHYLAMINE

Database IDs

• CAS Number: 1060808-84-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0280514
• LogD (pH = 7.4): -1.1550727
• Log P: 0.96857905
• Molar Refractivity: 44.1745 cm^3
• Polarizability: 17.349636 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%