tert-butyl N-(10-aminodecyl)carbamate

• ChemBase ID: 75132
• Molecular Formular: C15H32N2O2
• Molecular Mass: 272.42678
• Monoisotopic Mass: 272.24637827
• SMILES: NCCCCCCCCCCNC(=O)OC(C)(C)C
• Canonical SMILES: NCCCCCCCCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C15H32N2O2/c1-15(2,3)19-14(18)17-13-11-9-7-5-4-6-8-10-12-16/h4-13,16H2,1-3H3,(H,17,18)
• InChIKey: RSAPJHYIFKJREV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(10-aminodecyl)carbamate
• IUPAC Traditional name: tert-butyl N-(10-aminodecyl)carbamate
• Synonyms: tert-Butyl (10-aminodecyl)carbamate; 1,10-Diaminodecane, N1-BOC protected 97%

Database IDs

• CAS Number: 216961-61-4
• MDL Number: MFCD02094501
• PubChem SID: 162040050
• PubChem CID: 4215181

CALCULATED PROPERTIES

• Acid pKa: 16.170292
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.2904009
• LogD (pH = 7.4): 0.7101775
• Log P: 3.3143892
• Molar Refractivity: 79.8576 cm^3
• Polarizability: 31.783447 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold