Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6521761
1184971-51-4 structure

T6521761

Iupac Name:5-bromo-N-(4,4,5,5-tetradeuterio-1H-imidazol-2-yl)quinoxalin-6-amine
CAS No.:1184971-51-4
Molecular Weight:296.164
Molecular Formula:C24H27N3O6 (isomer)
Names and Identifiers
Synonyms

MCULE-4673499376 methyl 4-({[(4-carbamoylphenyl)methyl](cyclopropyl)amino}methyl)benzoate MOLPORT-009-174-128 Z316403848 ZINC40496583

Inchi
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)/i5D2,6D2
InChkey
XYLJNLCSTIOKRM-NZLXMSDQSA-N
Canonical Smiles
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br
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:296.164g/mol
  • Molecular Formula:C24H27N3O6
  • Compound Is Canonicalized:True
  • Exact Mass:295.037
  • Monoisotopic Mass:295.037
  • Complexity:308
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:62.2A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:4
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzgAAAEAAAAAAAAAAAAAAAAQAAAAA8QAAAAAAAAACx8AAAHABQAAABqAjBFgQ9wLLIEACg ATRnZACCgCUxEiQJ2KA4dLiIYOLA2NGUJAhokALIyjcQAAAAAACAAAUAACgAAQAACgAAUAAAAAAA AA==
Recommended Suppliers
  • Tel:1-631-398-3562
  • Fax:1-631-207-8356
Recommended Suppliers
  • Tel:1-631-398-3562
  • Fax:1-631-207-8356
 
<