chempirical

2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]

C10H15N3O4CAS 84041-77-0241.25 g/mol

Open in Covalent MOL file
ON+O−HNOHNHHO
AlcoholNitroSecondary amine

Properties

Molecular formula
C10H15N3O4
Molar mass
241.25 g/mol
Exact mass
241.1063 Da
logP
0.40Crippen estimate
Polar surface area
107.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
7

Identifiers

CAS number
84041-77-0
SMILES
O=[N+]([O-])c1cc(NCCO)ccc1NCCO
InChIKey
HWQZRURILVPDGN-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N3O4/c14-5-3-11-8-1-2-9(12-4-6-15)10(7-8)13(16)17/h1-2,7,11-12,14-15H,3-6H2

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Names and synonyms

8 names
  • Ethanol, 2,2′-[(2-nitro-1,4-phenylene)diimino]bis-
  • HC Violet BS
  • Velsol violet BS
  • Covarine purple W 5121
  • Violet 1.4D
  • Jarocol violet 1.4D
  • 2,2′-((2-Nitro-1,4-phenylene)bis(azanediyl))diethanol
  • 2-[4-(2-Hydroxyethylamino)-3-nitroanilino]ethanol

Work with 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[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-[(2,4-Dinitrophenyl)amino]ethanol1945-92-274 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-673 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-571 % similar Hc red 724905-87-171 % similar Hc red 32871-01-471 % similar Hc yellow 24926-55-067 % similar Hc blue 233229-34-466 % similar 4-[(3-Hydroxypropyl)amino]-3-nitrophenol92952-81-361 % similar

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

Same formula

4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylic acid128293-64-1 5-Methyl-2′-deoxycytidine838-07-3

Elsewhere

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