Nitenpyram

C₁₁H₁₅ClN₄O₂CAS 150824-47-8270.72 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
Density: 1.4 g/mL (at 26 °C)
Melting point: 82 °C
pKa: 3.1, 11.5
Flash point: 70 °C
logP: 1.85Crippen estimate
Polar surface area: 71.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

150824-47-8

SMILES

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

InChIKey

CFRPSFYHXJZSBI-DHZHZOJOSA-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/b11-8+

Weigh it out

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

Names and synonyms

9 names

1,1-Ethenediamine, N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-, (1E)-
1,1-Ethenediamine, N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-, (E)-
(1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-1,1-ethenediamine
(E)-Nitenpyram
TI 304
Bestguard
Niterndipoine
Capstar
(E)-N-(6-Chloro-3-pyridylmethyl)-N-ethyl-N′-methyl-2-nitroethylene-1,1-diamine

Work with Nitenpyram

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.

N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N′-methyl-2-nitro-1,1-ethenediamine120738-89-8Stereo not defined

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

PubChem CAS Common Chemistry NIST WebBook Wikipedia