tert-butyl N-(3-aminopyridin-2-yl)carbamate

• ChemBase ID: 293004
• Molecular Formular: C10H15N3O2
• Molecular Mass: 209.245
• Monoisotopic Mass: 209.11642674
• SMILES: CC(C)(C)OC(=O)Nc1ncccc1N
• Canonical SMILES: O=C(OC(C)(C)C)Nc1ncccc1N
• InChI: InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-8-7(11)5-4-6-12-8/h4-6H,11H2,1-3H3,(H,12,13,14)
• InChIKey: CIIDKKKSWTZUGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(3-aminopyridin-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(3-aminopyridin-2-yl)carbamate
• Synonyms: tert-Butyl (3-aminopyridin-2-yl)carbamate

Database IDs

• CAS Number: 108655-56-7
• PubChem SID: 180678535
• PubChem CID: 21794734

CALCULATED PROPERTIES

• Acid pKa: 12.918037
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.417182
• LogD (pH = 7.4): 1.431874
• Log P: 1.4320661
• Molar Refractivity: 59.2072 cm^3
• Polarizability: 21.690805 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%