Phenazine ethosulfate

C16H18N2O4SCAS 10510-77-7334.39 g/mol

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Properties

Molecular formula
C16H18N2O4S
Molar mass
334.39 g/mol
Exact mass
334.0987 Da
Melting point
190 °C
logP
2.18Crippen estimate
Polar surface area
83.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
10510-77-7
SMILES
CCOS(=O)(=O)[O-].CC[n+]1c2ccccc2nc2ccccc21
InChIKey
VDJKJPMLWJWQIH-UHFFFAOYSA-M
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

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Names and synonyms

7 names
  • N-Ethylphenazinium ethyl sulfate
  • NSC 402863
  • Phenazinium, 5-ethyl-, ethyl sulfate (1:1)
  • Phenazinium, 5-ethyl-, ethyl sulfate
  • 5-Ethylphenazinium ethyl sulfate
  • Sulfuric acid, monoethyl ester, ion(1-), 5-ethylphenazinium
  • N-Ethylphenazonium ethyl sulfate

Work with Phenazine ethosulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Ethyl-3-methylimidazolium ethylsulfate342573-75-5Salt

Similar compounds

Phenazine methosulfate299-11-650 % similar 1-Methoxyphenazine methosulfate65162-13-239 % similar Ethyl benzenesulfonate515-46-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Penicillin G61-33-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook