ChemSpider 2D Image | (2S)-3-[3-(Methylamino)-4-nitrophenoxy]-1,2-propanediol | C10H14N2O5

(2S)-3-[3-(Methylamino)-4-nitrophenoxy]-1,2-propanediol

  • Molecular FormulaC10H14N2O5
  • Average mass242.229 Da
  • Monoisotopic mass242.090271 Da
  • ChemSpider ID34995411

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-[3-(Methylamino)-4-nitrophenoxy]-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-[3-(Methylamino)-4-nitrophenoxy]-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-[3-(Méthylamino)-4-nitrophénoxy]-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[3-(methylamino)-4-nitrophenoxy]-, (2S)- [ACD/Index Name]
279-383-3 [EINECS]
2-NITRO-5-GLYCERYL METHYLANILINE
80062-31-3 [RN]
UNII-Y6YE3133F5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 61.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 65.95
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 65.95
Polar Surface Area: 108 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 173.1±3.0 cm3

Click to predict properties on the Chemicalize site


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