5-bromo-N,N-diethylpyrazin-2-amine

• ChemBase ID: 804161
• Molecular Formular: C8H12BrN3
• Molecular Mass: 230.10498
• Monoisotopic Mass: 229.0214594
• SMILES: CCN(CC)c1cnc(cn1)Br
• Canonical SMILES: CCN(c1ncc(nc1)Br)CC
• InChI: InChI=1S/C8H12BrN3/c1-3-12(4-2)8-6-10-7(9)5-11-8/h5-6H,3-4H2,1-2H3
• InChIKey: FPJSTJXRYOXZJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,N-diethylpyrazin-2-amine
• IUPAC Traditional name: 5-bromo-N,N-diethylpyrazin-2-amine
• Synonyms: (5-BROMO-2-PYRAZINYL)DIETHYLAMINE

Database IDs

• CAS Number: 959238-87-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9282835
• LogD (pH = 7.4): 1.9282928
• Log P: 1.9282929
• Molar Refractivity: 54.4485 cm^3
• Polarizability: 19.934074 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%