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Home> Encyclopedia > Hot Product Listed E   > Etymemazine
523-54-6 structure

Etymemazine

Iupac Name:3-(2-ethylphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
CAS No.:523-54-6
Molecular Weight:326.502
Molecular Formula:C20H26N2S (isomer)
Names and Identifiers
Synonyms

10-(3-dimethylamino-2-methylpropyl)-2-ethylphenothiazine 2-Ethyl-N,N,β-trimethyl-10H-phenothiazine-10-propan-1-amine 3-(2-ethyl-10h-phenothiazin-10-yl)-n,n,2-trimethyl-1-propanamine 3-(2-ethylphenothiazin-10-yl)-n,n,2-trimethylpropan-1-amine AC1L2GVA AC1Q7G4D api0007989 CHEBI:135393 CHEMBL2008544 Diquel DTXSID0046935 ethotrimeprazine ethyl isobutrazine ethylisobutrazine etymemazine [inn] FT-0668444 NCI60_001356 nsc169471 RP-6484 SCHEMBL790986 Unii-861J4K81C7 USKHCLAXJXCWMO-UHFFFAOYSA-N

Inchi
InChI=1S/C20H26N2S/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-21(3)4)17-8-6-7-9-19(17)23-20/h6-12,15H,5,13-14H2,1-4H3
InChkey
USKHCLAXJXCWMO-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)CN(C)C
Properties
Density
1.085
Boiling Point
457.6 ℃ at 760 mmHg
Refractive Index
1.593
Flash Point
230.6 ℃
HS Code
2934300000
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Synthesis Route
523-54-6Total: 1 Synthesis Route
Precursor and Product
precursor:
61852-27-5
61852-27-5
Computational chemical data
  • Molecular Weight:326.502g/mol
  • Molecular Formula:C20H26N2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.5
  • Exact Mass:326.182
  • Monoisotopic Mass:326.182
  • Complexity:373
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:31.8A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7AABAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHAQAAAAADQjBWAQywYMAAAiA AiRCQACCAAAhChAIiBwIZIgIIGLg0ZGEIAhggADoyAcQgIAOEAAAQAAAAQAgAACAAAACAAAAAAAA AA==
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