tert-butyl N-(5-methylpyrazin-2-yl)carbamate

• ChemBase ID: 67096
• Molecular Formular: C10H15N3O2
• Molecular Mass: 209.245
• Monoisotopic Mass: 209.11642674
• SMILES: c1(cnc(cn1)C)NC(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)Nc1cnc(cn1)C
• InChI: InChI=1S/C10H15N3O2/c1-7-5-12-8(6-11-7)13-9(14)15-10(2,3)4/h5-6H,1-4H3,(H,12,13,14)
• InChIKey: FGAZCKUQQRDXOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(5-methylpyrazin-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(5-methylpyrazin-2-yl)carbamate
• Synonyms: tert-Butyl (5-methylpyrazin-2-yl)carbamate; 2-Amino-5-methylpyrazine, N-BOC protected; N-Boc-2-Amino-5-methylpyrazine

Database IDs

• CAS Number: 369638-68-6
• MDL Number: MFCD09907674
• PubChem SID: 162032832
• PubChem CID: 22046506

CALCULATED PROPERTIES

• Acid pKa: 12.659545
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1746852
• LogD (pH = 7.4): 1.1746875
• Log P: 1.1746898
• Molar Refractivity: 56.9414 cm^3
• Polarizability: 21.430822 Å^3
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%