chempirical

Amezinium metilsulfate

C12H15N3O5SCAS 30578-37-1313.33 g/mol

Open in Covalent MOL file
OSOOOHONHNN
Ether

Properties

Molecular formula
C12H15N3O5S
Molar mass
313.33 g/mol
Exact mass
313.0732 Da
Melting point
1676 °C (decomposes)
logP
0.80Crippen estimate
Polar surface area
114.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
30578-37-1
SMILES
COS(=O)(=O)O.COc1cc(=N)cnn1-c1ccccc1
InChIKey
ZEASXVYVFFXULL-UHFFFAOYSA-N
InChI
InChI=1S/C11H11N3O.CH4O4S/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10;1-5-6(2,3)4/h2-8,12H,1H3;1H3,(H,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Pyridazinium, 4-amino-6-methoxy-1-phenyl-, methyl sulfate (1:1)
  • Pyridazinium, 4-amino-6-methoxy-1-phenyl-, methyl sulfate
  • 1-Phenyl-4-amino-6-methoxypyridazinium methyl sulfate
  • Lu 1631
  • Regulton
  • Amezinium methyl sulfate
  • Risumic
  • Supratonin

Work with Amezinium metilsulfate

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 Phenazine methosulfate299-11-6Salt 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-2Salt Behentrimonium methosulfate81646-13-1Salt 1-Methoxyphenazine methosulfate65162-13-2Salt Sodium methyl sulfate512-42-5Salt Potassium monomethylsulfate562-54-9Salt Tiemonium methosulfate6504-57-0Salt Quinolinium, 6-ethoxy-1-methyl-2-[2-(3-nitrophenyl)ethenyl]-, methyl sulfate (1:1)25910-85-4Salt

Similar compounds

5-Methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride205113-77-531 % similar 5-Methyl-1-phenylpyrazole-4-carboxylic acid91138-00-031 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook