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Home> Hot Product Listed A   > AC1Q3Y12
79495-97-9 structure

AC1Q3Y12

Iupac Name:7,16-didecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CAS No.:79495-97-9
Molecular Weight:542.87744
Molecular Formula:C18H20FN3O3 (isomer)
Names and Identifiers
Synonyms

4-(4,5-dimethyl-1,2,4-triazol-3-yl)butanoic acid 4-(4,5-dimethyl-4h-1,2,4-triazol-3-yl)butanoic acid 4-(dimethyl-4h-1,2,4-triazol-3-yl)butanoic acid AKOS008146312 EN300-72433 MCULE-2349628409 MOLPORT-012-862-951 NE59817 ZINC42031597

Inchi
InChI=1/C32H66N2O4/c1-3-5-7-9-11-13-15-17-19-33-21-25-35-29-31-37-27-23-34(24-28-38-32-30-36-26-22-33)20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
Canonical Smiles
CCCCCCCCCCN1CCOCCOCCN(CCOCCOCC1)CCCCCCCCCC
Properties
Melting Point
38-41 °C
Refractive Index
1.447
Safety and Handling
Safety Statements
WGK Germany 3 F 10
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:542.87744g/mol
  • Molecular Formula:C18H20FN3O3
  • Exact Mass:542.502259
  • Monoisotopic Mass:542.502259
  • Complexity:395
  • Rotatable Bond Count:18
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:38
  • 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
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