chempirical

Dinocap

C18H28N2O6CAS 39300-45-3368.43 g/mol

Open in Covalent MOL file
OON+OO−NOOH
AlkeneEsterNitro

Properties

Molecular formula
C18H28N2O6
Molar mass
368.43 g/mol
Exact mass
368.1947 Da
Density
1.1 g/mL (at 20 °C)
Boiling point
138–140 °C (at 0.05 Torr)
logP
5.59Crippen estimate
Polar surface area
119.1 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
8
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
39300-45-3
SMILES
CCCCCCCC.C/C=C/C(=O)OC1=CC=CC=C1[N+](=O)[O-].N(=O)O
InChIKey
ZVJZHLVSRSKTNE-OPIVVEOKSA-N
InChI
InChI=1S/C10H9NO4.C8H18.HNO2/c1-2-5-10(12)15-9-7-4-3-6-8(9)11(13)14;1-3-5-7-8-6-4-2;2-1-3/h2-7H,1H3;3-8H2,1-2H3;(H,2,3)/b5-2+;;

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Names and synonyms

12 names
  • 2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester
  • Karathane
  • Crotothane
  • Mildex
  • Carathane
  • DPC
  • DPC (pesticide)
  • Karathane 25
  • Caprane
  • Karathane FN 57
  • Karathane LC
  • Dicap

Work with Dinocap

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook