tert-butyl N-(2-hydroxy-2-methylpropyl)carbamate

• ChemBase ID: 288664
• Molecular Formular: C9H19NO3
• Molecular Mass: 189.25206
• Monoisotopic Mass: 189.13649347
• SMILES: O=C(OC(C)(C)C)NCC(C)(O)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC(O)(C)C
• InChI: InChI=1S/C9H19NO3/c1-8(2,3)13-7(11)10-6-9(4,5)12/h12H,6H2,1-5H3,(H,10,11)
• InChIKey: QBCNEFPGRLUXLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-hydroxy-2-methylpropyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-hydroxy-2-methylpropyl)carbamate
• Synonyms: tert-Butyl 2-hydroxy-2-methylpropylcarbamate

Database IDs

• CAS Number: 183059-24-7
• PubChem SID: 180674195
• PubChem CID: 11106129

CALCULATED PROPERTIES

• Acid pKa: 14.5948
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8736882
• LogD (pH = 7.4): 0.87368816
• Log P: 0.8736882
• Molar Refractivity: 50.1411 cm^3
• Polarizability: 19.85728 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%