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Carbamic acid,[3-methyl-2-[[[2-methyl-3-(2-propynyl)imidazo[1,2-a]pyridin-8-yl]oxy]methyl]phenyl]-,methyl ester (9CI) structure
Carbamic acid,[3-methyl-2-[[[2-methyl-3-(2-propynyl)imidazo[1,2-a]pyridin-8-yl]oxy]methyl]phenyl]-,methyl ester (9CI) structure

Carbamic acid,[3-methyl-2-[[[2-methyl-3-(2-propynyl)imidazo[1,2-a]pyridin-8-yl]oxy]methyl]phenyl]-,methyl ester (9CI)

Iupac Name:5-chloro-4-hydroxy-1H-pyridin-2-one
CAS No.:103766-25-2
Molecular Weight:145.542
1. Names and Identifiers
1.1 Name
Carbamic acid,[3-methyl-2-[[[2-methyl-3-(2-propynyl)imidazo[1,2-a]pyridin-8-yl]oxy]methyl]phenyl]-,methyl ester (9CI)
1.2 Synonyms

8-(2-methoxycarbonylamino-6-methylbenzyloxy)-2-methyl-3-(2-propynyl)imidazo(1,2-a)pyridine Imidazo[1,2-a]pyridine,carbamic acid deriv.

1.3 CAS No.
103766-25-2
1.4 CID
54679224
1.5 Molecular Formula
C9H11N (isomer)
1.6 Inchi
InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)
1.7 InChkey
ZPLQIPFOCGIIHV-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(C(=CNC1=O)Cl)O
1.9 Isomers Smiles
C1=C(C(=CNC1=O)Cl)O
2. 3D Conformer
3. Properties
3.1 Density
1.15
3.2 Melting Point
274 oC
3.3 Boiling Point
468.8°Cat760mmHg
3.4 Vapour
0.000408mmHg at 25°C
3.5 Refractive Index
1.617
4. Safety and Handling
4.1 Safety Statements
24/25
4.2 HazardClass
3
5. 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

6. Computational chemical data
  • Molecular Weight:145.542g/mol
  • Molecular Formula:C9H11N
  • Compound Is Canonicalized:True
  • Exact Mass:144.993
  • Monoisotopic Mass:144.993
  • Complexity:207
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:49.3A^2
  • Heavy Atom Count:9
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiMAAEAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgIQCAAACAbBgAQAAALAAgCI ACFWUACAAAAAIAAACIAIAUAIBAAAAAAAAAAAEgAAkQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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