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Home> Hot Product Listed 2   > 2-[(1e)-5-methyl-1,5-hexadienyl]pyridine
3069-30-5 structure

2-[(1e)-5-methyl-1,5-hexadienyl]pyridine

Iupac Name:4-triethoxysilylbutan-1-amine
CAS No.:3069-30-5
Molecular Weight:235.399
Molecular Formula:C18H20N4O5S3 (isomer)
Names and Identifiers
Synonyms

191110-34-6

Inchi
InChI=1S/C10H25NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-11H2,1-3H3
InChkey
SWDDLRSGGCWDPH-UHFFFAOYSA-N
Canonical Smiles
CCO[Si](CCCCN)(OCC)OCC
Properties
Melting Point
<0°C
Refractive Index
1.4270
Safety and Handling
Safety Statements
Moderately toxic by ingestion and skin contact. A skin irritant. When heated to decomposition it emits toxic fumes of NOx.
Transport
2735
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:235.399g/mol
  • Molecular Formula:C18H20N4O5S3
  • Compound Is Canonicalized:True
  • Exact Mass:235.16
  • Monoisotopic Mass:235.16
  • Complexity:130
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:53.7A^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: AAADceByMAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHhAQAEAACADhoAZCAABAAAAA AAAAAAAAAAAAAAAAAIAAAAAAAAAAgAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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