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Home> Encyclopedia > Hot Product Listed 5   > 5,8,11-Trioxa-2,3,13,14-tetraazapentadecanedioicacid, 4,12-dioxo-, diethyl ester (9CI)
101199-38-6 structure

5,8,11-Trioxa-2,3,13,14-tetraazapentadecanedioicacid, 4,12-dioxo-, diethyl ester (9CI)

Iupac Name:sodium;3-phenothiazin-10-ylpropane-1-sulfonate
CAS No.:101199-38-6
EINECS(EC#): 274-723-7
Molecular Weight:343.391
Molecular Formula:C25H28CLNO9 (isomer)
Names and Identifiers
Synonyms

2-[2-[(ethoxycarbonylamino)carbamoyloxy]ethoxy]ethyl n-(ethoxycarbonylamino)carbamate AC1L5LM7 AC1Q68EF CTK5A2152 diethyl 4,12-dioxo-5,8,11-trioxa-2,3,13,14-tetraazapentadecane-1,15-dioate DTXSID70282715 nsc27576 nsc-27576 Oxydiethylene bis(ethylhydrazodicarboxylate) ZINC100342499

Inchi
InChI=1S/C15H15NO3S2.Na/c17-21(18,19)11-5-10-16-12-6-1-3-8-14(12)20-15-9-4-2-7-13(15)16;/h1-4,6-9H,5,10-11H2,(H,17,18,19);/q;+1/p-1
InChkey
VKGYKXFNSKEHED-UHFFFAOYSA-M
Canonical Smiles
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCS(=O)(=O)[O-].[Na+]
Properties
Density
1.534
Flash Point
145.6°C
HS Code
2934999090
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

Computational chemical data
  • Molecular Weight:343.391g/mol
  • Molecular Formula:C25H28CLNO9
  • Compound Is Canonicalized:True
  • Exact Mass:343.031
  • Monoisotopic Mass:343.031
  • Complexity:432
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:94.1A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByMCBgAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHAQAAAAACAjFUASwwYMAAAqA ACRCQHDCAAAhChAIiBwIZIgIIGLgkZGEIAhggADoyAcQAAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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