chempirical

Prodiamine

C13H17F3N4O4CAS 29091-21-2350.30 g/mol

Open in Covalent MOL file
NN+OO−FFFNH2N+OO−
Alkyl halideNitroPrimary amineTertiary amine

Properties

Molecular formula
C13H17F3N4O4
Molar mass
350.30 g/mol
Exact mass
350.1202 Da
Melting point
124 °C
logP
3.73Crippen estimate
Polar surface area
115.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
7

Identifiers

CAS number
29091-21-2
SMILES
CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]
InChIKey
RSVPPPHXAASNOL-UHFFFAOYSA-N
InChI
InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • 1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-
  • Toluene-2,4-diamine, α,α,α-trifluoro-3,5-dinitro-N4,N4-dipropyl-
  • 2,6-Dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-1,3-benzenediamine
  • N3,N3-Dipropyl-2,4-dinitro-6-trifluoromethyl-1,3-phenylenediamine
  • Endurance
  • Barricade
  • Barricade (herbicide)
  • Kusablock
  • Factor
  • Endurance (herbicide)

Work with Prodiamine

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

Trifluralin1582-09-863 % similar Benfluralin1861-40-149 % similar Oryzalin19044-88-349 % similar 2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-643 % similar 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-942 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-342 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-440 % similar 4-Amino-3-bromo-5-nitrobenzotrifluoride113170-71-139 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia