5-tert-butylpyrazin-2-amine

• ChemBase ID: 802300
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1c(ncc(n1)C(C)(C)C)N
• Canonical SMILES: CC(c1ncc(nc1)N)(C)C
• InChI: InChI=1S/C8H13N3/c1-8(2,3)6-4-11-7(9)5-10-6/h4-5H,1-3H3,(H2,9,11)
• InChIKey: ZPLFLWYVKJJONN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butylpyrazin-2-amine
• IUPAC Traditional name: 5-tert-butylpyrazin-2-amine
• Synonyms: 5-TERT-BUTYLPYRAZIN-2-AMINE

Database IDs

• CAS Number: 59489-38-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2341981
• LogD (pH = 7.4): 1.2343373
• Log P: 1.2343391
• Molar Refractivity: 45.052 cm^3
• Polarizability: 16.960676 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%