chempirical

2-[(2,4-Dinitrophenyl)amino]ethanol

C8H9N3O5CAS 1945-92-2227.18 g/mol

Open in Covalent MOL file
ON+O−NHOHN+OO−
AlcoholNitroSecondary amine

Properties

Molecular formula
C8H9N3O5
Molar mass
227.18 g/mol
Exact mass
227.0542 Da
Melting point
90 °C
logP
0.91Crippen estimate
Polar surface area
118.5 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Identifiers

CAS number
1945-92-2
SMILES
O=[N+]([O-])c1ccc(NCCO)c([N+](=O)[O-])c1
InChIKey
OTKBBNLNJMLKDT-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3O5/c12-4-3-9-7-2-1-6(10(13)14)5-8(7)11(15)16/h1-2,5,9,12H,3-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • Ethanol, 2-[(2,4-dinitrophenyl)amino]-
  • Ethanol, 2-(2,4-dinitroanilino)-
  • 2,4-Dinitrophenylaminoethanol
  • N-(2,4-Dinitrophenyl)ethanolamine
  • NSC 24188
  • 2-(2,4-Dinitrophenylamino)ethanol
  • 2,4-Dinitro-N-(2-hydroxyethyl)aniline
  • 2-(2,4-Dinitroanilino)ethanol
  • 2-[(2,4-Dinitrophenyl)amino]ethan-1-ol

Work with 2-[(2,4-Dinitrophenyl)amino]ethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-074 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-673 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-571 % similar Hc red 32871-01-471 % similar Hc yellow 556932-44-671 % similar Hc yellow 24926-55-067 % similar Hc blue 233229-34-466 % similar Hc yellow 459820-43-866 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook