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C11H14ClN5CAS 97404-02-9251.72 g/mol

Open in Covalent MOL file
HClNNNNNH
AlkeneImine

Properties

Molecular formula
C11H14ClN5
Molar mass
251.72 g/mol
Exact mass
251.0938 Da
logP
1.19Crippen estimate
Polar surface area
58.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
97404-02-9
SMILES
Cl.Cn1ccn(C)c1=NN=C1C=CC(=N)C=C1
InChIKey
KEVCVWPVGPWWOI-UHFFFAOYSA-N
InChI
InChI=1S/C11H13N5.ClH/c1-15-7-8-16(2)11(15)14-13-10-5-3-9(12)4-6-10;/h3-8,12H,1-2H3;1H

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Names and synonyms

2 names
  • 1H-Imidazolium, 2-[2-(4-aminophenyl)diazenyl]-1,3-dimethyl-, chloride (1:1)
  • 1H-Imidazolium, 2-[(4-aminophenyl)azo]-1,3-dimethyl-, chloride

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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

Pararosaniline569-61-930 % similar

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

Elsewhere

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