(6-chloropyrazin-2-yl)methanamine

• ChemBase ID: 815372
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: C(N)c1cncc(n1)Cl
• Canonical SMILES: NCc1cncc(n1)Cl
• InChI: InChI=1S/C5H6ClN3/c6-5-3-8-2-4(1-7)9-5/h2-3H,1,7H2
• InChIKey: ODFNSYFUAVUKRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloropyrazin-2-yl)methanamine
• IUPAC Traditional name: (6-chloropyrazin-2-yl)methanamine
• Synonyms: (6-chloropyrazin-2-yl)methanamine

Database IDs

• CAS Number: 1060814-52-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9874322
• LogD (pH = 7.4): -1.3196328
• Log P: -0.43063685
• Molar Refractivity: 35.5615 cm^3
• Polarizability: 13.877116 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%