tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate

• ChemBase ID: 284468
• Molecular Formular: C9H20N2O2
• Molecular Mass: 188.2673
• Monoisotopic Mass: 188.15247789
• SMILES: C(=O)(NC(CN)(C)C)OC(C)(C)C
• Canonical SMILES: NCC(NC(=O)OC(C)(C)C)(C)C
• InChI: InChI=1S/C9H20N2O2/c1-8(2,3)13-7(12)11-9(4,5)6-10/h6,10H2,1-5H3,(H,11,12)
• InChIKey: VFEPPZUGBHOHKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate
• Synonyms: tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate

Database IDs

• MDL Number: MFCD14529625
• PubChem SID: 180669999
• PubChem CID: 45072480

CALCULATED PROPERTIES

• Acid pKa: 14.912098
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1879177
• LogD (pH = 7.4): -1.0490689
• Log P: 0.7668064
• Molar Refractivity: 51.7986 cm^3
• Polarizability: 20.739033 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.295

Product Information

• Purity: 95%