tert-butyl N-[2-(4-aminophenyl)-2-methylpropyl]carbamate

• ChemBase ID: 68289
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: C(=O)(NCC(C)(C)c1ccc(cc1)N)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC(c1ccc(cc1)N)(C)C
• InChI: InChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-10-15(4,5)11-6-8-12(16)9-7-11/h6-9H,10,16H2,1-5H3,(H,17,18)
• InChIKey: VAEAYMRALDLXDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[2-(4-aminophenyl)-2-methylpropyl]carbamate
• IUPAC Traditional name: tert-butyl N-[2-(4-aminophenyl)-2-methylpropyl]carbamate
• Synonyms: tert-Butyl (2-(4-aminophenyl)-2-methylpropyl)carbamate

Database IDs

• CAS Number: 180081-10-1
• MDL Number: MFCD13195344
• PubChem SID: 162034021
• PubChem CID: 22981167

CALCULATED PROPERTIES

• Acid pKa: 15.617806
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.767838
• LogD (pH = 7.4): 2.7934835
• Log P: 2.7938206
• Molar Refractivity: 77.7295 cm^3
• Polarizability: 29.939714 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%