ChemSpider 2D Image | (S)-N-desmethyltrimipramine | C19H24N2

(S)-N-desmethyltrimipramine

  • Molecular FormulaC19H24N2
  • Average mass280.407 Da
  • Monoisotopic mass280.193939 Da
  • ChemSpider ID32702337
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,2-dimethyl-1-propanamin [German] [ACD/IUPAC Name]
(2S)-3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,2-dimethyl-1-propanamine [ACD/IUPAC Name]
(2S)-3-(10,11-Dihydro-5H-dibenzo[b,f]azépin-5-yl)-N,2-diméthyl-1-propanamine [French] [ACD/IUPAC Name]
(S)-N-desmethyltrimipramine
198817-90-2 [RN]
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,β-dimethyl-, (βS)- [ACD/Index Name]
2293-21-2 [RN]
N-DESMETHYLTRIMIPRAMINE
N-DESMETHYLTRIMIPRAMINE, (S)-
UNII-I453QU04O6

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

498FXE07AS [DBID]
UNII:498FXE07AS [DBID]
UNII-498FXE07AS [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 415.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 155.3±19.4 °C
Index of Refraction: 1.568
Molar Refractivity: 88.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 6.20
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 3.71
ACD/KOC (pH 7.4): 15.16
Polar Surface Area: 15 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 271.2±3.0 cm3

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