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Home> Encyclopedia > Hot Product Listed 5   > 5H-Thiazolo[3,2-a]pyrimidinium,8-(4-chlorophenyl)-7-hydroxy-5-oxo-, inner salt
284664-88-6 structure

5H-Thiazolo[3,2-a]pyrimidinium,8-(4-chlorophenyl)-7-hydroxy-5-oxo-, inner salt

Iupac Name:2,6-diamino-4,4,5,5-tetradeuteriohexanoic acid;dihydrochloride
CAS No.:284664-88-6
Molecular Weight:223.13
Molecular Formula:C19H25NO2 (isomer)
Names and Identifiers
Synonyms

8-(4-chlorophenyl)thiazolo(3,2-a)pyrimidine-5,7-dione

Inchi
InChI=1S/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H/i1D2,2D2;;
InChkey
JBBURJFZIMRPCZ-RIZDZYNXSA-N
Canonical Smiles
C(CCN)CC(C(=O)O)N.Cl.Cl
Isomers Smiles
C(CCN)C[C@@H](C(=O)O)N.Cl.Cl
Properties
Density
1.12
Melting Point
200-206℃
Boiling Point
355.9°Cat760mmHg
Vapour
1.75E-06mmHg at 25°C
Flash Point
149.2°C
Computational chemical data
  • Molecular Weight:223.13g/mol
  • Molecular Formula:C19H25NO2
  • Compound Is Canonicalized:True
  • Exact Mass:222.084
  • Monoisotopic Mass:222.084
  • Complexity:106
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:89.3A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:4
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADceBjMAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAI AACQCAAAAAAAAAAAAIGAAAACABIAgAAAQAAEEAAAAAGYSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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