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14691-88-4 molecular structure
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ol

ChemBase ID: 70654
Molecular Formular: C9H19N2O
Molecular Mass: 171.25996
Monoisotopic Mass: 171.14973824
SMILES and InChIs

SMILES:
N1(C(CC(CC1(C)C)N)(C)C)[O]
Canonical SMILES:
NC1CC(C)(C)N(C(C1)(C)C)[O]
InChI:
InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3
InChIKey:
XUXUHDYTLNCYQQ-UHFFFAOYSA-N

Cite this record

CBID:70654 http://www.chembase.cn/molecule-70654.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ol
IUPAC Traditional name
tyrosine(.)
ol
Synonyms
4-Amino-2,2,6,6-tetramethylpiperidino-1-oxyl
4-Amino-TEMPO free radical
4-Amino-1-oxy-2,2,6,6-tetramethylpiperidine, free radical
4-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl
4-Amino-2,2,6,6-tetramethylpiperidinyloxy, free radical
4-Amino-TEMPO
4-Amino-TEMPO, free radical
4-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl
4-氨基-2,2,6,6-四甲基哌啶-1-氧
4-氨基-2,2,6,6-四甲基哌啶氧自由基
4-氨基-TEMPO
4-氨基-TEMPO,自由基
4-氨基-2,2,6,6-四甲基哌啶-1-氧
CAS Number
14691-88-4
EC Number
238-738-2
MDL Number
MFCD00006479
Beilstein Number
3933966
PubChem SID
24846343
162036369
24850044
PubChem CID
550942

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9106998  LogD (pH = 7.4) -2.5692089 
Log P 0.11574029  Molar Refractivity 48.8321 cm3
Polarizability 19.823294 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
~0 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
technical expand Show data source
Empirical Formula (Hill Notation)
C9H19N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 163945 external link
Packaging
1, 5 g in glass bottle
Application
Useful spin label for studying biological systems,1 polymers,2 and as a building block for more elaborate spin labels.3
Sigma Aldrich - 09465 external link
Other Notes
Spin label1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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