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Home> Encyclopedia > Hot Product Listed 5   > 5-Adenylic acid, compd. with 2-aminoethanethiol (1:1)
3398-33-2 structure

5-Adenylic acid, compd. with 2-aminoethanethiol (1:1)

Iupac Name:sodium;undec-10-enoate
CAS No.:3398-33-2
EINECS(EC#): 200-040-0
Molecular Weight:206.261
Molecular Formula:C20H33IO3 (isomer)
Names and Identifiers
Synonyms

cisticide M

Inchi
InChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1
InChkey
DKYPZNSPQXLRRQ-UHFFFAOYSA-M
Canonical Smiles
C=CCCCCCCCCC(=O)[O-].[Na+]
Properties
Density
1.5
Boiling Point
545.3°Cat760mmHg
Flash Point
321.2°C
HS Code
2916190090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:206.261g/mol
  • Molecular Formula:C20H33IO3
  • Compound Is Canonicalized:True
  • Exact Mass:206.128
  • Monoisotopic Mass:206.128
  • Complexity:146
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.1A^2
  • Heavy Atom Count:14
  • 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: AAADceBwMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAAACAAAAACI ACDSCAAAAAAgAAAIAAEAAAgAABIAAQAAAAAEgAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:010-56205725;010-86181995
  • Fax:010-65763397
  • Tel:(954) 327-0900
  • Fax:(954) 327-0903
  • Tel:507 267 4689
  • Fax:507 267 4790
  • Tel:+1-(800)-248-2436
  • Fax:+1-(203)-937-8400
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:91 22 23001389
  • Fax:91 22 23091237
 
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