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Home> Encyclopedia > Hot Product Listed 5   > 5H-Thiazolo[3,2-a]pyrimidine-6-carboxylicacid, 2-nitro-5-oxo-, ethyl ester
3060-46-6 structure

5H-Thiazolo[3,2-a]pyrimidine-6-carboxylicacid, 2-nitro-5-oxo-, ethyl ester

Iupac Name:(2S)-4-methyl-2-(methylamino)pentanoic acid
CAS No.:3060-46-6
EINECS(EC#): 264-509-1
Molecular Weight:145.202
Molecular Formula:C18H20N2O2 (isomer)
Names and Identifiers
Synonyms

AC1Q1WQO ethyl 2-nitro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate HE341593 NSC 49241 nsc49241 nsc-49241

Inchi
InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
InChkey
XJODGRWDFZVTKW-LURJTMIESA-N
Canonical Smiles
CC(C)CC(C(=O)O)NC
Properties
Density
1.474
Boiling Point
506.7°Cat760mmHg
Refractive Index
1.446
Flash Point
242°C
HS Code
2922499990
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:145.202g/mol
  • Molecular Formula:C18H20N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:145.11
  • Monoisotopic Mass:145.11
  • Complexity:112
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.3A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQCCALAAgAI AACQCAAAAAAAAAAAAIGIAAACABIAgCAEQAAEEAAQAACIAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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