[tert-butyl(2-methyl-1-phenylpropyl)amino]oxidanyl

• ChemBase ID: 143203
• Molecular Formular: C14H22NO
• Molecular Mass: 220.33058
• Monoisotopic Mass: 220.17013933
• SMILES: CC(C)C(c1ccccc1)N(C(C)(C)C)[O]
• Canonical SMILES: CC(C(N(C(C)(C)C)[O])c1ccccc1)C
• InChI: InChI=1S/C14H22NO/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12/h6-11,13H,1-5H3
• InChIKey: VGHCMXLEZFMZOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [tert-butyl(2-methyl-1-phenylpropyl)amino]oxidanyl
• IUPAC Traditional name: [tert-butyl(2-methyl-1-phenylpropyl)amino]oxidanyl
• Synonyms: 1,1-Dimethylethyl-2-methyl-1-phenylpropyl nitroxide; tert-Butyl 1-phenyl-2-methylpropyl nitroxide; NMP universal alkoxyamine nitroxide; 2,2,5-Trimethyl-4-phenyl-3-azahexane-3-nitroxide; 1,1-二甲基乙基-2-甲基-1-苯丙基硝基氧; NMP 通用烷氧胺硝基氧; 叔丁基 1-苯基-2-甲基丙基硝基氧; 2,2,5-三甲基-4-苯基-3-氮杂己烷-3-硝基氧

Database IDs

• CAS Number: 61015-94-9
• MDL Number: MFCD16621409
• PubChem SID: 162237424
• PubChem CID: 10900145

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5927622
• LogD (pH = 7.4): 3.5927622
• Log P: 3.5927622
• Molar Refractivity: 67.1689 cm^3
• Polarizability: 26.80576 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 204.8 °F; 96 °C
• Density: 0.953 g/mL at 25 °C
• Refractive Index: n20/D 1.515

Safety Information

• European Hazard Symbols: Oxidising (O); Toxic (T)
• UN Number: 3099
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 7-8-25
• Safety Statements: 3-7-17-36/37/39-45
• GHS Pictograms: GHS03; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H301
• GHS Precautionary statements: P220-P301 + P310
• RID/ADR: UN 3099 5.1/PG 3
• Storage Temperature: -20°C

Product Information

• Empirical Formula (Hill Notation): C14H22NO

DETAILS

Sigma Aldrich - 710733

Application
Stable nitroxide radical useful in controlling living radical polymerizations
General description
For a synthetic protocol using NMP initiators, contributed by Prof. Karen Wooley, please visit our technology spotlight.
Packaging
1 g in glass bottle
250 mg in glass bottle
Protocols & Applications
Block Copolymer Synthesis Using a Commercially Available NMP Inititator