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

• ChemBase ID: 258537
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n1c(CCN)cncc1
• Canonical SMILES: NCCc1cnccn1
• InChI: InChI=1S/C6H9N3/c7-2-1-6-5-8-3-4-9-6/h3-5H,1-2,7H2
• InChIKey: WJNJQSDKFXGALV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrazin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(pyrazin-2-yl)ethanamine
• Synonyms: (2-pyrazin-2-ylethyl)amine; 2-(pyrazin-2-yl)ethan-1-amine; (Pyrazin-2-yl)ethanaMine; 2-PYRAZIN-2-YL-ETHYLAMINE

Database IDs

• CAS Number: 5321-59-5; 179323-60-5
• MDL Number: MFCD05863867
• PubChem SID: 164314447
• PubChem CID: 3152487

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.007462
• LogD (pH = 7.4): -3.0822475
• Log P: -1.017846
• Molar Refractivity: 34.3948 cm^3
• Polarizability: 13.664622 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.021

Product Information

• Purity: 95%; 97%; 98%