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15051-46-4 molecular structure
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ol

ChemBase ID: 143557
Molecular Formular: C13H22NO3
Molecular Mass: 240.31868
Monoisotopic Mass: 240.15996857
SMILES and InChIs

SMILES:
CC(=C)C(=O)OC1CC(N(C(C1)(C)C)[O])(C)C
Canonical SMILES:
[O]N1C(C)(C)CC(CC1(C)C)OC(=O)C(=C)C
InChI:
InChI=1S/C13H22NO3/c1-9(2)11(15)17-10-7-12(3,4)14(16)13(5,6)8-10/h10H,1,7-8H2,2-6H3
InChIKey:
BTWSPOZXDCFMLX-UHFFFAOYSA-N

Cite this record

CBID:143557 http://www.chembase.cn/molecule-143557.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ol
IUPAC Traditional name
tyrosine(.)
Synonyms
4-Methacryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl
PTMA monomer
TEMPO methacrylate
4-氰基苯二硫代碳酸-1-氰基-1-甲基乙基酯
PTMA 单体
TEMPO甲基丙烯酸甲酯
CAS Number
15051-46-4
MDL Number
MFCD17677357
PubChem SID
162237775
PubChem CID
9859588

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
730297 external link Add to cart Please log in.
Data Source Data ID
PubChem 9859588 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0489244  LogD (pH = 7.4) 2.0489244 
Log P 2.0489244  Molar Refractivity 65.3309 cm3
Polarizability 26.193756 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
86-90 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
43 expand Show data source
Safety Statements
36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C13H22NO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 730297 external link
Application
Stable nitroxide radical useful in controlling living radical polymerizations, with a methacrylate functionality for cross-linking or orthogonal polymerization.
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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