chempirical

Phenazine methosulfate

C14H14N2O4SCAS 299-11-6306.34 g/mol

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Properties

Molecular formula
C14H14N2O4S
Molar mass
306.34 g/mol
Exact mass
306.0674 Da
Melting point
157 °C
logP
1.31Crippen estimate
Polar surface area
83.2 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
299-11-6
SMILES
COS(=O)(=O)[O-].C[n+]1c2ccccc2nc2ccccc21
InChIKey
RXGJTUSBYWCRBK-UHFFFAOYSA-M
InChI
InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1

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Names and synonyms

14 names · show all
  • Phenazinium, 5-methyl-, methyl sulfate (1:1)
  • 5-Methylphenazinium methyl sulfate
  • Phenazinium, 5-methyl-, methyl sulfate
  • N-Methylphenazonium methosulfate
  • PMS
  • N-Methylphenazinium methosulfate
  • N-Methylphenazonium methosulphate
  • 5-N-Methylphenazonium methosulfate
  • N-Methylphenazinium methyl sulfate
  • Phenazine methosulphate
  • PMS (pharmaceutical)
  • NSC 34661
  • 9-Methylphenazinium methyl sulfate
  • N-Methylphenazine methosulfate

Work with Phenazine methosulfate

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.

Basic blue 4112270-13-2Salt Proserine51-60-5Salt Basic yellow 2854060-92-3Salt Diphemanil methyl sulfate62-97-5Salt 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-2Salt Behentrimonium methosulfate81646-13-1Salt 1-Methoxyphenazine methosulfate65162-13-2Salt Amezinium metilsulfate30578-37-1Salt Potassium monomethylsulfate562-54-9Salt Sodium methyl sulfate512-42-5Salt Tiemonium methosulfate6504-57-0Salt Quinolinium, 6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]-, methyl sulfate (1:1)25910-85-4Salt

Similar compounds

Phenazine ethosulfate10510-77-750 % similar Lucigenin2315-97-132 % similar 3,6-Diamino-10-methylacridinium chloride-3,6-acridinediamine mixt.8048-52-031 % similar Methyl benzenesulfonate80-18-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-amino-4-methyl-5-(4-nitrophenyl)thiophene-3-carboxylate174072-89-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook