5-ethylpyrazin-2-amine

• ChemBase ID: 67556
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1(cnc(cn1)CC)N
• Canonical SMILES: CCc1cnc(cn1)N
• InChI: InChI=1S/C6H9N3/c1-2-5-3-9-6(7)4-8-5/h3-4H,2H2,1H3,(H2,7,9)
• InChIKey: ITXMRWYSIZIJDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylpyrazin-2-amine
• IUPAC Traditional name: 5-ethylpyrazin-2-amine
• Synonyms: 2-Amino-5-ethylpyrazine

Database IDs

• CAS Number: 13535-07-4
• MDL Number: MFCD10697800
• PubChem SID: 162033291
• PubChem CID: 22046323

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13515133
• LogD (pH = 7.4): 0.13533619
• Log P: 0.13533856
• Molar Refractivity: 35.9765 cm^3
• Polarizability: 13.28083 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%