chempirical

4-[(2-Hydroxyethyl)amino]-3-nitrophenol

C8H10N2O4CAS 65235-31-6198.18 g/mol

Open in Covalent MOL file
ON+O−OHNHHO
AlcoholNitroPhenolSecondary amine

Properties

Molecular formula
C8H10N2O4
Molar mass
198.18 g/mol
Exact mass
198.0641 Da
logP
0.70Crippen estimate
Polar surface area
95.6 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
4

Identifiers

CAS number
65235-31-6
SMILES
O=[N+]([O-])c1cc(O)ccc1NCCO
InChIKey
UXKLYBMQAHYULT-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2

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Names and synonyms

7 names
  • Phenol, 4-[(2-hydroxyethyl)amino]-3-nitro-
  • 3-Nitro-4-N-(β-hydroxyethyl)aminophenol
  • 3-Nitro-4-β-hydroxyethylaminophenol
  • HC Red 54
  • HC Red B 54
  • Jarocol NHEAP
  • HC red no. 54

Work with 4-[(2-Hydroxyethyl)amino]-3-nitrophenol

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

4-[(3-Hydroxypropyl)amino]-3-nitrophenol92952-81-385 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-273 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-073 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-569 % similar Hc red 32871-01-469 % similar Hc yellow 24926-55-065 % similar Hc blue 233229-34-464 % similar Hc blue 12132885-85-955 % similar

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

Same formula

Mimosine500-44-7 2-Propyl-1H-imidazole-4,5-dicarboxylic acid58954-23-7 2,5-Dimethoxy-4-nitrobenzenamine6313-37-7

Elsewhere

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