tert-butyl({1-[4-(chloromethyl)phenyl]ethoxy})(2-methyl-1-phenylpropyl)amine

• ChemBase ID: 143121
• Molecular Formular: C23H32ClNO
• Molecular Mass: 373.95928
• Monoisotopic Mass: 373.21724233
• SMILES: CC(C)C(c1ccccc1)N(C(C)(C)C)OC(C)c1ccc(cc1)CCl
• Canonical SMILES: ClCc1ccc(cc1)C(ON(C(C)(C)C)C(c1ccccc1)C(C)C)C
• InChI: InChI=1S/C23H32ClNO/c1-17(2)22(21-10-8-7-9-11-21)25(23(4,5)6)26-18(3)20-14-12-19(16-24)13-15-20/h7-15,17-18,22H,16H2,1-6H3
• InChIKey: WZYBDTCNEIULNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl({1-[4-(chloromethyl)phenyl]ethoxy})(2-methyl-1-phenylpropyl)amine
• IUPAC Traditional name: tert-butyl({1-[4-(chloromethyl)phenyl]ethoxy})(2-methyl-1-phenylpropyl)amine
• Synonyms: Alkoxyamine NMP initiator; N-tert-Butyl-O-[1-[4-(chloromethyl)phenyl]ethyl]-N-(2-methyl-1-phenylpropyl)hydroxylamine; 烷氧胺 NMP 引发剂; N-叔丁基-O-[1-[4-(氯甲基)苯基]乙基]-N-(2-甲基-1-苯丙基)羟胺

Database IDs

• CAS Number: 227000-85-3
• MDL Number: MFCD16621727
• PubChem SID: 162237343
• PubChem CID: 22733773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.6066074
• LogD (pH = 7.4): 6.6139336
• Log P: 6.6140275
• Molar Refractivity: 111.6712 cm^3
• Polarizability: 44.23607 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 43-47 °C
• Flash Point: >110 °C; >230 °F

Safety Information

• European Hazard Symbols: Corrosive (C); Oxidising (O)
• UN Number: 3085
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 8-34
• Safety Statements: 17-26-36/37/39-45
• GHS Pictograms: GHS03; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H314
• GHS Precautionary statements: P220-P280-P305 + P351 + P338-P310
• RID/ADR: UN 3085 5.1/PG 3
• Storage Temperature: -20°C

Product Information

• Empirical Formula (Hill Notation): C23H32ClNO

DETAILS

Sigma Aldrich - 711268

Application
Functional alkoxyamine initiator for nitroxide-mediated living radical polymerization (NMP initiator). Particularly useful for synthesis of styrene and acrylate polymers and co-polymers.
General description
For a synthetic protocol using NMP initiators, contributed by Prof. Karen Wooley, please visit our technology spotlight.
Packaging
250 mg in glass bottle
Protocols & Applications
Block Copolymer Synthesis Using a Commercially Available NMP Inititator