tert-butyl N-(10-hydroxydecyl)carbamate

• ChemBase ID: 162475
• Molecular Formular: C15H31NO3
• Molecular Mass: 273.41154
• Monoisotopic Mass: 273.23039386
• SMILES: N(CCCCCCCCCCO)C(=O)OC(C)(C)C
• Canonical SMILES: OCCCCCCCCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C15H31NO3/c1-15(2,3)19-14(18)16-12-10-8-6-4-5-7-9-11-13-17/h17H,4-13H2,1-3H3,(H,16,18)
• InChIKey: ZEWLESIFIREKBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(10-hydroxydecyl)carbamate
• IUPAC Traditional name: tert-butyl N-(10-hydroxydecyl)carbamate
• Synonyms: (10-Hydroxydecyl)carbamic Acid 1,1-Dimethylethyl Ester; 10-tert-Butoxycarbonylamino-1-decanol; 10-(t-Boc-amino)-1-decanol

Database IDs

• CAS Number: 173606-54-7
• PubChem SID: 162256610
• PubChem CID: 4362802

CALCULATED PROPERTIES

• Acid pKa: 16.170292
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4212708
• LogD (pH = 7.4): 3.4212708
• Log P: 3.4212708
• Molar Refractivity: 78.2001 cm^3
• Polarizability: 30.877277 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: White Solid
• Melting Point: 48-54°C

Safety Information

• Storage Condition: -20°C Freezer