ChemSpider 2D Image | (2R,7aS)-2-Chloro-5-imino-2,3-dihydro-1H-pyrrolizin-7a(5H)-ol | C7H9ClN2O

(2R,7aS)-2-Chloro-5-imino-2,3-dihydro-1H-pyrrolizin-7a(5H)-ol

  • Molecular FormulaC7H9ClN2O
  • Average mass172.612 Da
  • Monoisotopic mass172.040344 Da
  • ChemSpider ID97495976

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,7aS)-2-Chlor-5-imino-2,3-dihydro-1H-pyrrolizin-7a(5H)-ol [German] [ACD/IUPAC Name]
(2R,7aS)-2-Chloro-5-imino-2,3-dihydro-1H-pyrrolizin-7a(5H)-ol [ACD/IUPAC Name]
(2R,7aS)-2-Chloro-5-imino-2,3-dihydro-1H-pyrrolizin-7a(5H)-ol [French] [ACD/IUPAC Name]
1H-Pyrrolizin-7a(5H)-ol, 2-chloro-2,3-dihydro-5-imino-, (2R,7aS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 295.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.1±6.0 kJ/mol
Flash Point: 132.7±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 41.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.07
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 107.6±7.0 cm3

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