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Home> Hot Product Listed Z   > ZINC48991342
637-12-7 structure

ZINC48991342

Iupac Name:aluminum;octadecanoate
CAS No.:637-12-7
Molecular Weight:877.41
Molecular Formula:C16H17N5O3 (isomer)
Names and Identifiers
Synonyms

3-(n-(4-chlorophenyl)-n-methylsulfamoyl)-n-(2-ethoxybenzyl)thiophene-2-carboxamide 3-[(4-chlorophenyl)(methyl)sulfamoyl]-n-(2-ethoxybenzyl)thiophene-2-carboxamide 3-{[(4-chlorophenyl)(methyl)amino]sulfonyl}-n-(2-ethoxybenzyl)thiophene-2-carboxamide AKOS005724065 F3406-0225 MCULE-3853015942 MOLPORT-009-710-307 STL096436 VU0620927-1

Inchi
InChI=1S/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3
InChkey
CEGOLXSVJUTHNZ-UHFFFAOYSA-K
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]
Properties
Melting Point
103℃
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
Transport
20kgs, 1
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:877.41g/mol
  • Molecular Formula:C16H17N5O3
  • Compound Is Canonicalized:True
  • Exact Mass:876.773
  • Monoisotopic Mass:876.773
  • Complexity:196
  • Rotatable Bond Count:45
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:120A^2
  • Heavy Atom Count:61
  • 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:4
  • CACTVS Substructure Key Fingerprint: AAADcfB8OAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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