Hc red 13

C₁₀H₁₆ClN₃O₄CAS 94158-13-1277.70 g/mol

Open in Covalent MOL file

Alcohol Nitro Primary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₆ClN₃O₄
Molar mass: 277.70 g/mol
Exact mass: 277.0829 Da
logP: 0.39Crippen estimate
Polar surface area: 112.9 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6

Identifiers

CAS number

94158-13-1

SMILES

Cl.Nc1ccc(N(CCO)CCO)cc1[N+](=O)[O-]

InChIKey

ASAQRGCLIPUSEK-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N3O4.ClH/c11-9-2-1-8(7-10(9)13(16)17)12(3-5-14)4-6-15;/h1-2,7,14-15H,3-6,11H2;1H

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Names and synonyms

2 names

Ethanol, 2,2′-[(4-amino-3-nitrophenyl)imino]bis-, monohydrochloride
HC red no. 13

Work with Hc red 13

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 233229-34-459 % similar Hc blue 12132885-85-956 % similar 4-Amino-3-nitrophenol610-81-149 % similar 4-Chloro-2-nitroaniline89-63-449 % similar Nitro-P-phenylenediamine5307-14-248 % similar 4-Fluoro-2-nitroaniline364-78-347 % similar 4-Amino-3-nitrobenzonitrile6393-40-446 % similar 4-Iodo-2-nitrobenzenamine20691-72-946 % similar

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

Elsewhere

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