ChemSpider 2D Image | 2-ETHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)PROPAN-1-OL | C12H17NO3

2-ETHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)PROPAN-1-OL

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID26710773

More details:

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

2-ETHYLAMINO-1-(3,4-METHYLENEDIOXYPHENYL)PROPAN-1-OL
876488-28-7 [RN]
1-(1,3-Benzodioxol-5-yl)-2-(ethylamino)-1-propanol [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(ethylamino)-1-propanol [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(éthylamino)-1-propanol [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-methanol, α-[1-(ethylamino)ethyl]- [ACD/Index Name]

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

29HPR92AIB [DBID]
UNII:29HPR92AIB [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 376.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 181.5±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 51 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 190.4±3.0 cm3

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