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Home> Hot Product Listed 1   > 1-N,4-N-bis[(E)-(2-ethoxyphenyl)methylideneamino]phthalazine-1,4-diamine
28053-08-9 structure

1-N,4-N-bis[(E)-(2-ethoxyphenyl)methylideneamino]phthalazine-1,4-diamine

Iupac Name:disodium
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,
4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
CAS No.:28053-08-9
Molecular Weight:610.265442
Molecular Formula:C82H54O54 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C15H24N2O17P2.2Na/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25);;/q;2*+1/p-2/t5-,6-,8-,9-,10+,11-,12-,13-,14-;;/m1../s1
Canonical Smiles
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)CO)O)O)O)O)O.[Na+].[Na+]
Isomers Smiles
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O
[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O.[Na+].[Na+]
Properties
Density
1.41
Boiling Point
472.2°C at 760 mmHg
Flash Point
383.4°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Reach Info
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:610.265442g/mol
  • Molecular Formula:C82H54O54
  • Exact Mass:610.01891
  • Monoisotopic Mass:610.01891
  • Complexity:948
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:17
  • Topological Polar Surface Area:297
  • Heavy Atom Count:38
  • Defined Atom Stereocenter Count:9
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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Recommended Suppliers
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