2-(5-chloropyrazin-2-yl)ethan-1-amine

• ChemBase ID: 814135
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: C(Cc1cnc(cn1)Cl)N
• Canonical SMILES: NCCc1cnc(cn1)Cl
• InChI: InChI=1S/C6H8ClN3/c7-6-4-9-5(1-2-8)3-10-6/h3-4H,1-2,8H2
• InChIKey: FSAIHEGULHAOCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloropyrazin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-chloropyrazin-2-yl)ethanamine
• Synonyms: 2-(5-chloropyrazin-2-yl)ethanamine

Database IDs

• CAS Number: 1196151-14-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1838078
• LogD (pH = 7.4): -2.2633364
• Log P: -0.19362412
• Molar Refractivity: 40.2609 cm^3
• Polarizability: 15.632325 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%