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2564-83-2 molecular structure
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2,2,6,6-tetramethylpiperidin-1-ol

ChemBase ID: 103731
Molecular Formular: C9H19NO
Molecular Mass: 157.25326
Monoisotopic Mass: 157.14666423
SMILES and InChIs

SMILES:
CC1(C)CCCC(C)(C)N1O
Canonical SMILES:
ON1C(C)(C)CCCC1(C)C
InChI:
InChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3
InChIKey:
VUZNLSBZRVZGIK-UHFFFAOYSA-N

Cite this record

CBID:103731 http://www.chembase.cn/molecule-103731.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,6,6-tetramethylpiperidin-1-ol
IUPAC Traditional name
2,2,6,6-tetramethylpiperidoxyl
Synonyms
2,2,6,6-tetramethylpiperidin-1-ol
2,2,6,6-Tetramethylpipridinoxy free radical
TEMPO
CAS Number
2564-83-2
EC Number
219-888-8
PubChem SID
162102934
PubChem CID
549976

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 549976 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.742695  H Acceptors
H Donor LogD (pH = 5.5) 1.6604367 
LogD (pH = 7.4) 1.6698223  Log P 1.6699433 
Molar Refractivity 46.714 cm3 Polarizability 18.725828 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
36 - 38°C expand Show data source
36-38°C expand Show data source
Flash Point
67.7°C expand Show data source
Hydrophobicity(logP)
2.001 expand Show data source
Storage Condition
2-8°C, Store Under Nitrogen expand Show data source
RTECS
TN8991900 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
R:25-36 expand Show data source
Safety Statements
S:28-36/37/39-45-53 expand Show data source
EU Classification
T1 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
153 expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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