chempirical

Hc blue 2

C12H19N3O5CAS 33229-34-4285.30 g/mol

Open in Covalent MOL file
ON+O−NOHHONHHO
AlcoholNitroSecondary amineTertiary amine

Properties

Molecular formula
C12H19N3O5
Molar mass
285.30 g/mol
Exact mass
285.1325 Da
Melting point
93–98 °C
logP
-0.21Crippen estimate
Polar surface area
119.1 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
9

Identifiers

CAS number
33229-34-4
SMILES
O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO
InChIKey
MIWUTEVJIISHCP-UHFFFAOYSA-N
InChI
InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2

Weigh it out

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Names and synonyms

13 names · show all
  • Ethanol, 2,2′-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]bis-
  • Ethanol, 2,2′-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]di-
  • 2,2′-[[4-[(2-Hydroxyethyl)amino]-3-nitrophenyl]imino]bis[ethanol]
  • N1,N4,N4-Tris(2-hydroxyethyl)-2-nitro-p-phenylenediamine
  • N,N′,N′-Tris(2-hydroxyethyl)-2-nitro-p-phenylenediamine
  • N1,N4,N4-Tris(2′-hydroxyethyl)-2-nitro-p-phenylenediamine
  • HC blue no. 2
  • 2,2′-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol
  • Covarine blue W 6122
  • Colorex HCB 2
  • N,N,N′-Tris(2-hydroxyethyl)-3-nitrobenzene-1,4-diamine
  • 2,2′-((4-((2-Hydroxyethyl)amino)-3-nitrophenyl)azanediyl)diethanol
  • 2-[4-[Bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol

Work with Hc blue 2

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

Hc blue 12132885-85-979 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-266 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-066 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-664 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-563 % similar Hc red 32871-01-463 % similar Hc red 1394158-13-159 % similar Hc yellow 24926-55-059 % similar

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

Same formula

Glycylprolylhydroxyproline2239-67-0

Elsewhere

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