ChemSpider 2D Image | (1S)-6,7-Dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline | C22H29NO5

(1S)-6,7-Dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC22H29NO5
  • Average mass387.469 Da
  • Monoisotopic mass387.204559 Da
  • ChemSpider ID27473352

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-6,7-Dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1S)-6,7-Diméthoxy-2-méthyl-1-(3,4,5-triméthoxybenzyl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1S)-6,7-Dimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
24734-71-2 [RN]
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-, (1S)- [ACD/Index Name]
(1R)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-[(3,4,5-TRIMETHOXYPHENYL)METHYL]-ISOQUINOLINE
104758-49-8 [RN]
5'-methoxylaudanosine
6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxy-benzyl)-1,2,3,4-tetrahydro-isoquinoline
CN(CC1)[C@@H](CC2=CC(OC)=C(C(OC)=C2)OC)C3=C1C=C(OC)C(OC)=C3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 492.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 136.2±25.9 °C
Index of Refraction: 1.545
Molar Refractivity: 109.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.01
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 37.41
ACD/KOC (pH 7.4): 336.44
Polar Surface Area: 49 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 345.6±3.0 cm3

Click to predict properties on the Chemicalize site


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