ChemSpider 2D Image | indaziflam | C16H20FN5

indaziflam

  • Molecular FormulaC16H20FN5
  • Average mass301.362 Da
  • Monoisotopic mass301.170288 Da
  • ChemSpider ID21442049

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3,5-Triazine-2,4-diamine, N2-[(1R,2S)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-(1-fluoroethyl)- [ACD/Index Name]
20920435 [Beilstein]
2-Amino-4-[(1R,2S)-2,6-dimethyl-indan-1-ylamino]-6-(1-fluoroethyl)-1,3,5-triazine
950782-86-2 [RN]
indaziflam [BSI] [ISO]
indaziflame [French] [ISO]
L56T&J C1 H1 BM- BT6N CN ENJ DZ FYF1 &&(1R,2S)- Form [WLN]
MFCD17167079 [MDL number]
N-[(1R,2S)-2,3-Dihydro-2,6-dimethyl-1H-inden-1-yl]-6-[(1RS)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
N-[(1R,2S)-2,6-Dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluorethyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

M64ZDU291E [DBID]
UNII:M64ZDU291E [DBID]
  • Miscellaneous

    • Chemical Class:

      A diastereoisomeric mixture of the two fluoroethyl diastereoisomers of <element>N</element>-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine in which the indane moiety has 1<stere o>R</stereo>,2<stereo>S</stereo> configuration. A cellulose biosynthesis inhibitor, it is used as a pre-emergence herbicide for the control of annual grasses and broad-leaved weeds in citrus, grapes, fruit trees, Christmas tree farms, lawns and sports fields. The two diastereoisomers have very similar biological activity; commercial material is a 95:5 mixture of the (1<stereo>R</stereo>,2<stereo>S </stereo>,fluoroethyl-<stereo>R</stereo>) and (1<stereo>R</stereo>,2<stereo>S</stereo>,fluoroethyl-<stereo>S</stereo>) diastereoisomers. ChEBI CHEBI:133237
      A diastereoisomeric mixture of the two fluoroethyl diastereoisomers of N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine in which the indane moiety has 1R,2S configuration. A cel lulose biosynthesis inhibitor, it is used as a pre-emergence herbicide for the control of annual grasses and broad-leaved weeds in citrus, grapes, fruit trees, Christmas tree farms, lawns and sports f ields. The two diastereoisomers have very similar biological activity; commercial material is a 95:5 mixture of the (1R,2S,fluoroethyl-R) and (1R,2S,fluoroethyl-S) diastereoisomers. ChEBI CHEBI:133237

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 513.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.1±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.06
ACD/KOC (pH 5.5): 1164.11
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 139.30
ACD/KOC (pH 7.4): 1191.84
Polar Surface Area: 77 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 240.7±3.0 cm3

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