Hc blue 12

C₁₂H₂₀ClN₃O₄CAS 132885-85-9305.76 g/mol

Open in Covalent MOL file

Alcohol Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₂₀ClN₃O₄
Molar mass: 305.76 g/mol
Exact mass: 305.1142 Da
logP: 1.24Crippen estimate
Polar surface area: 98.9 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 8

Identifiers

CAS number

132885-85-9

SMILES

CCN(CCO)c1ccc(NCCO)c([N+](=O)[O-])c1.Cl

InChIKey

LXKQJEXWFGAMMW-UHFFFAOYSA-N

InChI

InChI=1S/C12H19N3O4.ClH/c1-2-14(6-8-17)10-3-4-11(13-5-7-16)12(9-10)15(18)19;/h3-4,9,13,16-17H,2,5-8H2,1H3;1H

Weigh it out

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

Names and synonyms

3 names

Ethanol, 2-[[4-[ethyl(2-hydroxyethyl)amino]-2-nitrophenyl]amino]-, hydrochloride (1:1)
Ethanol, 2-[[4-[ethyl(2-hydroxyethyl)amino]-2-nitrophenyl]amino]-, monohydrochloride
HC blue no. 12

Work with Hc blue 12

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 233229-34-479 % similar Hc red 1394158-13-156 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-256 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-056 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-655 % similar Hc red 32871-01-454 % similar Disperse red 12872-52-850 % similar Hc yellow 24926-55-050 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook