tert-butyl N-methyl-N-(2-methyl-1-oxopropan-2-yl)carbamate

• ChemBase ID: 245981
• Molecular Formular: C10H19NO3
• Molecular Mass: 201.26276
• Monoisotopic Mass: 201.13649347
• SMILES: C(=O)(N(C(C=O)(C)C)C)OC(C)(C)C
• Canonical SMILES: O=CC(N(C(=O)OC(C)(C)C)C)(C)C
• InChI: InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11(6)10(4,5)7-12/h7H,1-6H3
• InChIKey: JUJWZUXFWXFHJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-methyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-methyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
• Synonyms: tert-butyl N-methyl-N-(2-methyl-1-oxopropan-2-yl)carbamate

Database IDs

• MDL Number: MFCD23144191
• PubChem SID: 164301891
• PubChem CID: 71757843

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4112117
• LogD (pH = 7.4): 1.4112117
• Log P: 1.4112117
• Molar Refractivity: 54.0549 cm^3
• Polarizability: 21.148417 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.262

Product Information

• Purity: 95%