ChemSpider 2D Image | (4S)-1,2,3,4-Tetrahydro-4-isoquinoliniumcarboxylate | C10H11NO2

(4S)-1,2,3,4-Tetrahydro-4-isoquinoliniumcarboxylate

  • Molecular FormulaC10H11NO2
  • Average mass177.200 Da
  • Monoisotopic mass177.078979 Da
  • ChemSpider ID32789098

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-1,2,3,4-Tetrahydro-4-isochinoliniumcarboxylat [German] [ACD/IUPAC Name]
(4S)-1,2,3,4-Tétrahydro-4-isoquinoléiniumcarboxylate [French] [ACD/IUPAC Name]
(4S)-1,2,3,4-Tetrahydro-4-isoquinoliniumcarboxylate [ACD/IUPAC Name]
4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (4S)- [ACD/Index Name]
(4S)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLIC ACID
116140-19-3 [RN]
MFCD08236715 [MDL number]

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

Density:
Boiling Point: 370.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 178.0±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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