N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-1,1-ethenediamine

C₁₁H₁₅ClN₄O₂CAS 120738-89-8270.72 g/mol

Open in Covalent MOL file

Alkene Aryl halide Nitro Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₅ClN₄O₂
Molar mass: 270.72 g/mol
Exact mass: 270.0884 Da
Melting point: 83.5 °C
logP: 1.85Crippen estimate
Polar surface area: 71.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Identifiers

CAS number

120738-89-8

SMILES

CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC

InChIKey

CFRPSFYHXJZSBI-UHFFFAOYSA-N

InChI

InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3

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Names and synonyms

1 names

1,1-Ethenediamine, N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-

Work with N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-1,1-ethenediamine

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

1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydro-N-nitro-1H-imidazol-2-amine105827-78-945 % similar Imidacloprid138261-41-345 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-335 % similar Thiacloprid111988-49-934 % similar Acetamiprid135410-20-733 % similar N-[(6-Chloro-3-pyridinyl)methyl]-N′-cyano-N-methylethanimidamide160430-64-833 % similar 2-Chloro-5-nitropyridine4548-45-233 % similar Ranitidine66357-35-532 % similar

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

Same formula

Nitenpyram150824-47-8

Elsewhere

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