1-(pyrazin-2-yl)ethan-1-amine

• ChemBase ID: 288003
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: CC(N)c1cnccn1
• Canonical SMILES: CC(c1cnccn1)N
• InChI: InChI=1S/C6H9N3/c1-5(7)6-4-8-2-3-9-6/h2-5H,7H2,1H3
• InChIKey: IIGXIHLJMZQHJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrazin-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(pyrazin-2-yl)ethanamine
• Synonyms: 1-(Pyrazin-2-yl)ethanamine

Database IDs

• CAS Number: 179323-60-5
• MDL Number: MFCD11506006
• PubChem SID: 180673534
• PubChem CID: 18519006

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3939583
• LogD (pH = 7.4): -1.8006351
• Log P: -0.68609446
• Molar Refractivity: 34.1893 cm^3
• Polarizability: 13.738654 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%