ChemSpider 2D Image | (1R,7aS)-7-(Hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol | C8H13NO2

(1R,7aS)-7-(Hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol

  • Molecular FormulaC8H13NO2
  • Average mass155.194 Da
  • Monoisotopic mass155.094635 Da
  • ChemSpider ID52085356

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,7aS)-7-(Hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol [German] [ACD/IUPAC Name]
(1R,7aS)-7-(Hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol [ACD/IUPAC Name]
(1R,7aS)-7-(Hydroxyméthyl)-2,3,5,7a-tétrahydro-1H-pyrrolizin-1-ol [French] [ACD/IUPAC Name]
1H-Pyrrolizine-7-methanol, 2,3,5,7a-tetrahydro-1-hydroxy-, (1R,7aS)- [ACD/Index Name]
74431-30-4 [RN]
91841-01-9 [RN]
HELIOTRIDINE, (-)-
HELIOTRIDINE, (±)-

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

3BI2RX2HRW [DBID]
99V95AIA6Z [DBID]
UNII:99V95AIA6Z [DBID]
UNII:3BI2RX2HRW [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 291.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.6±6.0 kJ/mol
Flash Point: 161.4±26.0 °C
Index of Refraction: 1.612
Molar Refractivity: 41.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 44 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 119.7±5.0 cm3

Click to predict properties on the Chemicalize site


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