ChemSpider 2D Image | (2S)-4-(2,3,4-Trimethoxyphenyl)-2-butanamine | C13H21NO3

(2S)-4-(2,3,4-Trimethoxyphenyl)-2-butanamine

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID65762957
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-4-(2,3,4-Trimethoxyphenyl)-2-butanamin [German] [ACD/IUPAC Name]
(2S)-4-(2,3,4-Trimethoxyphenyl)-2-butanamine [ACD/IUPAC Name]
(2S)-4-(2,3,4-Triméthoxyphényl)-2-butanamine [French] [ACD/IUPAC Name]
Benzenepropanamine, 2,3,4-trimethoxy-α-methyl-, (αS)- [ACD/Index Name]
(2S)-4-(2,3,4-trimethoxyphenyl)butan-2-amine
2227751-75-7 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 328.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 149.4±21.6 °C
Index of Refraction: 1.505
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

Click to predict properties on the Chemicalize site






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