tert-butyl N-(10-bromodecyl)carbamate

• ChemBase ID: 162476
• Molecular Formular: C15H30BrNO2
• Molecular Mass: 336.3082
• Monoisotopic Mass: 335.14599121
• SMILES: N(CCCCCCCCCCBr)C(=O)OC(C)(C)C
• Canonical SMILES: BrCCCCCCCCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C15H30BrNO2/c1-15(2,3)19-14(18)17-13-11-9-7-5-4-6-8-10-12-16/h4-13H2,1-3H3,(H,17,18)
• InChIKey: OUQOWAUUYVRAFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(10-bromodecyl)carbamate
• IUPAC Traditional name: tert-butyl N-(10-bromodecyl)carbamate
• Synonyms: (10-Bromodecyl)carbamic Acid 1,1-Dimethylethyl Ester; 10-(t-Boc-amino)-1-decylbromide

Database IDs

• CAS Number: 887353-29-9
• PubChem SID: 162256611
• PubChem CID: 4643225

CALCULATED PROPERTIES

• Acid pKa: 16.170292
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.961358
• LogD (pH = 7.4): 4.961358
• Log P: 4.961358
• Molar Refractivity: 84.2346 cm^3
• Polarizability: 32.908817 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White to Off-White Solid
• Melting Point: 35-37°C

Safety Information

• Storage Condition: -20°C Freezer