tert-butyl N,N-dimethylcarbamate

• ChemBase ID: 249084
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(OC(C)(C)C)N(C)C
• Canonical SMILES: O=C(N(C)C)OC(C)(C)C
• InChI: InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)8(4)5/h1-5H3
• InChIKey: RJSZFSOFYVMDIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N,N-dimethylcarbamate
• IUPAC Traditional name: tert-butyl N,N-dimethylcarbamate
• Synonyms: tert-butyl N,N-dimethylcarbamate

Database IDs

• MDL Number: MFCD01318374
• PubChem SID: 164304994
• PubChem CID: 312724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0903146
• LogD (pH = 7.4): 1.0903146
• Log P: 1.0903146
• Molar Refractivity: 39.6885 cm^3
• Polarizability: 15.537319 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.675

Product Information

• Purity: 95%