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227000-85-3 molecular structure
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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 and InChIs

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

Cite this record

CBID:143121 http://www.chembase.cn/molecule-143121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
227000-85-3
MDL Number
MFCD16621727
PubChem SID
162237343
PubChem CID
22733773

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
711268 external link Add to cart Please log in.
Data Source Data ID
PubChem 22733773 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.6066074  LogD (pH = 7.4) 6.6139336 
Log P 6.6140275  Molar Refractivity 111.6712 cm3
Polarizability 44.23607 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
solid expand Show data source
Melting Point
43-47 °C expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Oxidising Oxidising (O) expand Show data source
UN Number
3085 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
8-34 expand Show data source
Safety Statements
17-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H272-H314 expand Show data source
GHS Precautionary statements
P220-P280-P305 + P351 + P338-P310 expand Show data source
RID/ADR
UN 3085 5.1/PG 3 expand Show data source
Storage Temperature
-20°C expand Show data source
Empirical Formula (Hill Notation)
C23H32ClNO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 711268 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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