2-(6-chloropyrazin-2-yl)ethan-1-amine

• ChemBase ID: 814342
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: C(Cc1cncc(n1)Cl)N
• Canonical SMILES: NCCc1cncc(n1)Cl
• InChI: InChI=1S/C6H8ClN3/c7-6-4-9-3-5(10-6)1-2-8/h3-4H,1-2,8H2
• InChIKey: FRYUUJOBQGTPBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-chloropyrazin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(6-chloropyrazin-2-yl)ethanamine
• Synonyms: 2-(6-chloropyrazin-2-yl)ethanamine

Database IDs

• CAS Number: 1196151-47-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1816325
• LogD (pH = 7.4): -2.2433205
• Log P: -0.19362412
• Molar Refractivity: 40.2609 cm^3
• Polarizability: 15.635981 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%