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Home> Hot Product Listed P   > Propanimidic acid,3-[(2,4-dinitrophenyl)amino]-, 2-sulfoethyl ester
6627-38-9 structure

Propanimidic acid,3-[(2,4-dinitrophenyl)amino]-, 2-sulfoethyl ester

Iupac Name:6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline
CAS No.:6627-38-9
Molecular Weight:312.376
Molecular Formula:C6H12BR4NO3P (isomer)
Names and Identifiers
Synonyms

isethionyl 3-(N-2,4-dinitrophenyl)-aminopropioimidate

Inchi
InChI=1S/C20H16N4/c1-13-11-17-18(12-14(13)2)24-20(16-8-4-6-10-22-16)19(23-17)15-7-3-5-9-21-15/h3-12H,1-2H3
InChkey
NACXMBPTPBZQHY-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4
Properties
Melting Point
191-193 °C(lit.)
Boiling Point
°Cat760mmHg
Refractive Index
1.655
Flash Point
246.8°C
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-37/39
Reach Info
Computational chemical data
  • Molecular Weight:312.376g/mol
  • Molecular Formula:C6H12BR4NO3P
  • Compound Is Canonicalized:True
  • Exact Mass:312.137
  • Monoisotopic Mass:312.137
  • Complexity:376
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:51.6A^2
  • Heavy Atom Count:24
  • 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: AAADceB7gAAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAACx/gAAHAAAAAAADAjBHgQ+wLIIEACg AzRnRACCgCQxEiAI2CA4dJgIYOLA0ZGUIAhggADIyAcQgIAOiAAAQAAQACAQAACAACAAQAAAAAAA AA==
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