chempirical

Hc red 3

C8H11N3O3CAS 2871-01-4197.19 g/mol

Open in Covalent MOL file
H2NNHOHN+OO−
AlcoholNitroPrimary amineSecondary amine

Properties

Molecular formula
C8H11N3O3
Molar mass
197.19 g/mol
Exact mass
197.0800 Da
Melting point
127 °C
logP
0.58Crippen estimate
Polar surface area
101.4 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Identifiers

CAS number
2871-01-4
SMILES
Nc1ccc(NCCO)c([N+](=O)[O-])c1
InChIKey
GZGZVOLBULPDFD-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanol, 2-[(4-amino-2-nitrophenyl)amino]-
  • Ethanol, 2-(4-amino-2-nitroanilino)-
  • 2-[(4-Amino-2-nitrophenyl)amino]ethanol
  • N1-(2-Hydroxyethyl)-2-nitro-p-phenylenediamine
  • N-(2-Hydroxyethyl)-2-nitro-p-phenylenediamine
  • N1-(2′-Hydroxyethyl)-2-nitro-p-phenylenediamine
  • HC red no. 3
  • 4-(2-Hydroxyethyl)amino-3-nitroaniline
  • HC red number 3
  • 2-Nitro-4-amino-1-(2-hydroxyethylamino)benzene
  • Red no. 3
  • 1-[(2-Hydroxyethyl)amino]-2-nitro-4-aminobenzene
  • 2-(4-Amino-2-nitroanilino)ethanol
  • 2-[(4-Amino-2-nitrophenyl)amino]ethan-1-ol

Work with Hc red 3

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-[(2,4-Dinitrophenyl)amino]ethanol1945-92-271 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-071 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-669 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-567 % similar Hc yellow 24926-55-063 % similar Hc blue 233229-34-463 % similar Hc red 12784-89-659 % similar 4-[(3-Hydroxypropyl)amino]-3-nitrophenol92952-81-359 % similar

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

Same formula

Hc red 724905-87-1 N-Acetyl-L-histidine2497-02-1 Hc yellow 556932-44-6 Phenylguanidine bicarbonate6685-76-3

Elsewhere

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