chempirical

Diphemanil methyl sulfate

C21H27NO4SCAS 62-97-5389.51 g/mol

Open in Covalent MOL file
OSOOO−N+
AlkeneQuaternary ammonium

Properties

Molecular formula
C21H27NO4S
Molar mass
389.51 g/mol
Exact mass
389.1661 Da
Melting point
194.5 °C
logP
3.45Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
62-97-5
SMILES
COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIKey
BREMLQBSKCSNNH-UHFFFAOYSA-M
InChI
InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

23 names · show all
  • Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate (1:1)
  • Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate
  • 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate
  • Demotil
  • N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate
  • Diphemanil
  • Diphenatil
  • Diphenmanil methylsulfate
  • Diphenmethanil
  • Diphenmethanil methylsulfate
  • Nivelona
  • Prantal
  • Vagophemanil
  • Vagophemanil methyl sulfate
  • Diphemanil methosulfate
  • Nivelon
  • Prantil
  • Prentol
  • Talpran
  • Variton
  • Diphemanil metilsulfate
  • NSC 41725
  • Biphemanil

Work with Diphemanil methyl sulfate

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

Similar compounds

Phenazine methosulfate299-11-638 % similar Behenyltrimethylammonium methosulfate81646-13-137 % similar Tiemonium methosulfate6504-57-037 % similar 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-237 % similar Sodium methyl sulfate512-42-536 % similar Potassium monomethylsulfate562-54-936 % similar Proserine51-60-535 % similar 6'-Dimethyl-4'-(N-succinimidyloxycarbonyl)phenyl-10-methyl-acridinium-9-carboxylate methosulfate (dmae-nhs)115853-74-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook