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Home> Hot Product Listed 5   > 5-Thiazolecarboxylicacid,2-amino-4-methyl-,1-methylethylester(9CI)
72990-56-8 structure

5-Thiazolecarboxylicacid,2-amino-4-methyl-,1-methylethylester(9CI)

Iupac Name:N-dodecoxy-1-(1-oxidopyridin-1-ium-4-yl)methanimine
CAS No.:72990-56-8
Molecular Weight:306.45
Molecular Formula:C16H15NO2 (isomer)
Names and Identifiers
Synonyms

isopropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate isopropyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate(SALTDATA: FREE) propan-2-yl 2-amino-4-methyl-1,3-thiazole-5-carboxylate

Inchi
InChI=1S/C18H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-16-22-19-17-18-12-14-20(21)15-13-18/h12-15,17H,2-11,16H2,1H3
InChkey
OQHVGHASNRGLNV-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCON=CC1=CC=[N+](C=C1)[O-]
Properties
Boiling Point
418.5°C at 760 mmHg
Refractive Index
1.501
Computational chemical data
  • Molecular Weight:306.45g/mol
  • Molecular Formula:C16H15NO2
  • Compound Is Canonicalized:True
  • Exact Mass:306.231
  • Monoisotopic Mass:306.231
  • Complexity:264
  • Rotatable Bond Count:13
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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