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
NClNN+OO−NH
AlkeneAryl halideNitroSecondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 29 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Nitenpyram150824-47-8Defined stereoisomer

Similar compounds

N-[1-[(6-Chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide105827-78-945 % 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-(6-Chloropyridin-3-yl)acetic acid39891-13-933 % similar 2-Chloro-5-nitropyridine4548-45-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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