tert-butyl N-(2-amino-2-ethylbutyl)carbamate

• ChemBase ID: 272572
• Molecular Formular: C11H24N2O2
• Molecular Mass: 216.32046
• Monoisotopic Mass: 216.18377802
• SMILES: C(=O)(NCC(N)(CC)CC)OC(C)(C)C
• Canonical SMILES: CCC(CNC(=O)OC(C)(C)C)(CC)N
• InChI: InChI=1S/C11H24N2O2/c1-6-11(12,7-2)8-13-9(14)15-10(3,4)5/h6-8,12H2,1-5H3,(H,13,14)
• InChIKey: VTFJSWJQZQVKSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-amino-2-ethylbutyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-amino-2-ethylbutyl)carbamate
• Synonyms: tert-butyl N-(2-amino-2-ethylbutyl)carbamate

Database IDs

• MDL Number: MFCD18483182
• PubChem SID: 164328482
• PubChem CID: 52908200

CALCULATED PROPERTIES

• Acid pKa: 15.403635
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.194155
• LogD (pH = 7.4): -0.43644866
• Log P: 1.8118511
• Molar Refractivity: 60.8466 cm^3
• Polarizability: 24.417141 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.353

Product Information

• Purity: 95%