chempirical

Tricaine methanesulfonate

C10H15NO5SCAS 886-86-2261.29 g/mol

Open in Covalent MOL file
OONH2SOOOH
EsterPrimary amineSulfonic acid

Properties

Molecular formula
C10H15NO5S
Molar mass
261.29 g/mol
Exact mass
261.0671 Da
Melting point
149.5 °C
logP
0.95Crippen estimate
Polar surface area
106.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
886-86-2
SMILES
CCOC(=O)c1cccc(N)c1.CS(=O)(=O)O
InChIKey
FQZJYWMRQDKBQN-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)

Weigh it out

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

Names and synonyms

12 names
  • Benzoic acid, 3-amino-, ethyl ester, methanesulfonate (1:1)
  • Benzoic acid, m-amino-, ethyl ester, methanesulfonate
  • Benzoic acid, 3-amino-, ethyl ester, methanesulfonate
  • MS 222
  • Metacaine
  • Tricaine
  • Ethyl m-aminobenzoate methanesulfonate
  • Finquel
  • Metacain
  • TS 222
  • NSC 93790
  • Ethyl 3-aminobenzoate methanesulfonate

Work with Tricaine methanesulfonate

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

Ethyl 3-aminobenzoate582-33-276 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-357 % similar Ethyl 3-hydroxybenzoate7781-98-853 % similar Benzocaine94-09-751 % similar Ethyl m-chlorobenzoate1128-76-351 % similar Ethyl 3-methylbenzoate120-33-251 % similar Ethyl 3-bromobenzoate24398-88-751 % similar Ethyl 3-fluorobenzoate451-02-551 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook