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Home> Hot Product Listed F   > F2050-0481
10429-30-8 structure

F2050-0481

Iupac Name:2-[3-(dimethylamino)propoxy]benzaldehyde
CAS No.:10429-30-8
Molecular Weight:207.273
Molecular Formula:C15H15F3N2O2 (isomer)
Names and Identifiers
Synonyms

2,4-dimethoxy-n-(1-(2-methoxyacetyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide AKOS024624657 MCULE-8023217102 MOLPORT-009-688-396 ZINC21756829

Inchi
InChI=1S/C12H17NO2/c1-13(2)8-5-9-15-12-7-4-3-6-11(12)10-14/h3-4,6-7,10H,5,8-9H2,1-2H3
InChkey
DSHCOEWHRLVOTF-UHFFFAOYSA-N
Canonical Smiles
CN(C)CCCOC1=CC=CC=C1C=O
Properties
Vapour
0.00023mmHg at 25°C
Refractive Index
1.536
Safety and Handling
Risk Statements
43
Safety Statements
36/37
HazardClass
IRRITANT
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:207.273g/mol
  • Molecular Formula:C15H15F3N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.1
  • Exact Mass:207.126
  • Monoisotopic Mass:207.126
  • Complexity:183
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:15
  • 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: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAAAAAADAThmAYyBoMABACI AihSgAACCAAkIAAIiAEOCMgMJjaENRqGOWCm4BEIqYeIyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-21-50563169
  • Fax:
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:86-411-39074598
  • Fax:86-0411-39074598
  • Tel:+86-(21)-6416-1922
  • Fax:+86-(21)-64161922
 
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