ChemSpider 2D Image | (S)-3,4,5-trimethoxyamphetamine | C12H19NO3

(S)-3,4,5-trimethoxyamphetamine

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID32697755

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(3,4,5-Trimethoxyphenyl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(3,4,5-Trimethoxyphenyl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(3,4,5-Triméthoxyphényl)-2-propanamine [French] [ACD/IUPAC Name]
(S)-3,4,5-trimethoxyamphetamine
708198-43-0 [RN]
Benzeneethanamine, 3,4,5-trimethoxy-α-methyl-, (αS)- [ACD/Index Name]
1082-88-8 [RN]
3,4,5-Trimethoxyamphetamine
3,4,5-TRIMETHOXYAMPHETAMINE, (S)-
UNII-P2K02L3YON

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

5774F1K6F8 [DBID]
UNII:5774F1K6F8 [DBID]
UNII-5774F1K6F8 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 321.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 148.6±20.2 °C
Index of Refraction: 1.507
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

Click to predict properties on the Chemicalize site


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