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Search term: MBSMTOOGSMCQBM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-1-(2,5-Dimethoxy-4-nitrophenyl)-2-butanamine | C12H18N2O4

(2R)-1-(2,5-Dimethoxy-4-nitrophenyl)-2-butanamine

  • Molecular FormulaC12H18N2O4
  • Average mass254.282 Da
  • Monoisotopic mass254.126663 Da
  • ChemSpider ID31104946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(2,5-Dimethoxy-4-nitrophenyl)-2-butanamin [German] [ACD/IUPAC Name]
(2R)-1-(2,5-Dimethoxy-4-nitrophenyl)-2-butanamine [ACD/IUPAC Name]
(2R)-1-(2,5-Diméthoxy-4-nitrophényl)-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-2,5-dimethoxy-4-nitro-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 408.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.1±27.3 °C
Index of Refraction: 1.537
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.35
Polar Surface Area: 90 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 219.2±3.0 cm3

Click to predict properties on the Chemicalize site


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