ChemSpider 2D Image | (R)-sebuthylazine | C9H16ClN5

(R)-sebuthylazine

  • Molecular FormulaC9H16ClN5
  • Average mass229.710 Da
  • Monoisotopic mass229.109421 Da
  • ChemSpider ID34448860
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(R)-sebuthylazine
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-ethyl-N4-[(1R)-1-methylpropyl]- [ACD/Index Name]
N-[(2R)-2-Butanyl]-6-chlor-N'-ethyl-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
N-[(2R)-2-Butanyl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
N-[(2R)-2-Butanyl]-6-chloro-N'-éthyl-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC Name]
230-710-8 [EINECS]
7286-69-3 [RN]
N-[(2R)-butan-2-yl]-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine
sebuthylazine [ISO]
UNII-GP8E41EOQO
  • Miscellaneous
    • Chemical Class:

      The (<stereo>R</stereo>)-enantiomer of <element>N</element>-(butan-2-yl)-6-chloro-<element>N</element>'-ethyl-1,3,5-triazine-2,4-diamine. ChEBI CHEBI:83790

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 380.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.6±23.2 °C
Index of Refraction: 1.593
Molar Refractivity: 63.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.46
ACD/KOC (pH 5.5): 942.64
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.70
ACD/KOC (pH 7.4): 944.86
Polar Surface Area: 63 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 186.4±3.0 cm3

Click to predict properties on the Chemicalize site






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