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10510-77-7 molecular structure
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5-ethylphenazin-5-ium ethyl sulfate

ChemBase ID: 102283
Molecular Formular: C16H18N2O4S
Molecular Mass: 334.39012
Monoisotopic Mass: 334.09872807
SMILES and InChIs

SMILES:
CCOS(=O)(=O)[O-].CC[n+]1c2ccccc2nc2ccccc12
Canonical SMILES:
CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)[O-]
InChI:
InChI=1S/C14H13N2.C2H6O4S/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16;1-2-6-7(3,4)5/h3-10H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
InChIKey:
VDJKJPMLWJWQIH-UHFFFAOYSA-M

Cite this record

CBID:102283 http://www.chembase.cn/molecule-102283.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethylphenazin-5-ium ethyl sulfate
IUPAC Traditional name
5-ethylphenazin-5-ium ethyl sulfate
Synonyms
N-Ethyldibenzopyrazine ethyl sulfate salt
PHENAZINE ETHOSULFATE
Phenazine ethosulfate
CAS Number
10510-77-7
EC Number
234-044-9
MDL Number
MFCD00050286
PubChem SID
162089271
PubChem CID
82688

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 82688 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2392049  LogD (pH = 7.4) -1.2392031 
Log P -1.239203  Molar Refractivity 64.5596 cm3
Polarizability 27.630892 Å3 Polar Surface Area 16.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
RTECS
SG1635000 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
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 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
-20°C expand Show data source
Purity
~95% expand Show data source
≥92.5% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02100956 external link
Yellow crystals
Purity: ~95%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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