tert-butyl N-methyl-N-(6-methylpyridin-2-yl)carbamate

• ChemBase ID: 806545
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: C(=O)(N(c1nc(ccc1)C)C)OC(C)(C)C
• Canonical SMILES: O=C(N(c1cccc(n1)C)C)OC(C)(C)C
• InChI: InChI=1S/C12H18N2O2/c1-9-7-6-8-10(13-9)14(5)11(15)16-12(2,3)4/h6-8H,1-5H3
• InChIKey: UZRQBXOOMIFFLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-methyl-N-(6-methylpyridin-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-methyl-N-(6-methylpyridin-2-yl)carbamate
• Synonyms: (TERT-BUTOXY)-N-METHYL-N-[6-METHYL-(2-PYRIDINYL)]CARBOXAMIDE

Database IDs

• CAS Number: 205676-84-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2553198
• LogD (pH = 7.4): 2.2564144
• Log P: 2.2564282
• Molar Refractivity: 62.2142 cm^3
• Polarizability: 24.136326 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%