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Home> Hot Product Listed T   > T6691842
39552-01-7 structure

T6691842

Iupac Name:1-[7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-yl]ethanone
CAS No.:39552-01-7
Molecular Weight:291.34224
Molecular Formula:C26H27CLN2O3 (isomer)
Names and Identifiers
Synonyms

2-(5-acetyl-2-methoxyphenyl)-n-(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)acetamide MCULE-8124910378 MOLPORT-009-139-144 Z131530008

Inchi
InChI=1/C16H21NO4/c1-10(2)17-8-13(19)9-20-14-6-4-5-12-7-15(11(3)18)21-16(12)14/h4-7,10,13,17,19H,8-9H2,1-3H3
Canonical Smiles
CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(=O)C)O
Safety and Handling
Safety Statements
A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
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:291.34224g/mol
  • Molecular Formula:C26H27CLN2O3
  • XLogP3-AA:2
  • Exact Mass:291.147058
  • Monoisotopic Mass:291.147058
  • Complexity:347
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:71.7
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-22-58951207
  • Fax:86-22-58951207
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:+033-4-94 86 32 27
  • Fax:+033-4-94 86 31 70
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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