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Home> Hot Product Listed T   > T6660016
26062-79-3 structure

T6660016

Iupac Name:dimethyl-bis(prop-2-enyl)azanium;chloride
CAS No.:26062-79-3
Molecular Weight:491.06
Molecular Formula:C27H24N4O3S (isomer)
Names and Identifiers
Synonyms

3-methyl-n-{3-[methyl(2,2,2-trifluoroethyl)amino]propyl}-1,2-oxazole-5-carboxamide BG01255638 MCULE-7958495837 MOLPORT-009-055-544 Z422616320 ZINC46833276

Inchi
InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1
InChkey
GQOKIYDTHHZSCJ-UHFFFAOYSA-M
Canonical Smiles
C[N+](C)(CC=C)CC=C.[Cl-]
Properties
Melting Point
140-148 °C
Refractive Index
n20/D 1.417
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 26062-79-3 EC: T6660016 ·ECHA C&L Inventory for CAS: CAS: 26062-79-3 EC: T6660016
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:491.06g/mol
  • Molecular Formula:C27H24N4O3S
  • Compound Is Canonicalized:True
  • Exact Mass:161.097
  • Monoisotopic Mass:161.097
  • Complexity:91.1
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:10
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceByAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACADBAAQCAAMAAACA ACBCAACAAAAAAAAIAAAIAAAAAAAAAQAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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