tert-butyl N-(4-methoxybutyl)carbamate

• ChemBase ID: 246815
• Molecular Formular: C10H21NO3
• Molecular Mass: 203.27864
• Monoisotopic Mass: 203.15214354
• SMILES: C(=O)(OC(C)(C)C)NCCCCOC
• Canonical SMILES: COCCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H21NO3/c1-10(2,3)14-9(12)11-7-5-6-8-13-4/h5-8H2,1-4H3,(H,11,12)
• InChIKey: NRIMNJXWDPLBNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(4-methoxybutyl)carbamate
• IUPAC Traditional name: tert-butyl N-(4-methoxybutyl)carbamate
• Synonyms: tert-butyl N-(4-methoxybutyl)carbamate

Database IDs

• MDL Number: MFCD21105562
• PubChem SID: 164302725
• PubChem CID: 63787826

CALCULATED PROPERTIES

• Acid pKa: 15.991432
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3969854
• LogD (pH = 7.4): 1.3969854
• Log P: 1.3969854
• Molar Refractivity: 55.3453 cm^3
• Polarizability: 21.76071 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.395

Product Information

• Purity: 95%