ChemSpider 2D Image | (R)-ambenoxan | C14H21NO4

(R)-ambenoxan

  • Molecular FormulaC14H21NO4
  • Average mass267.321 Da
  • Monoisotopic mass267.147064 Da
  • ChemSpider ID34995447

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-ambenoxan
1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-[2-(2-methoxyethoxy)ethyl]-, (2R)- [ACD/Index Name]
N-[(2R)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-2-(2-methoxyethoxy)ethanamin [German] [ACD/IUPAC Name]
N-[(2R)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-2-(2-methoxyethoxy)ethanamine [ACD/IUPAC Name]
N-[(2R)-2,3-Dihydro-1,4-benzodioxin-2-ylméthyl]-2-(2-méthoxyéthoxy)éthanamine [French] [ACD/IUPAC Name]
219-531-6 [EINECS]
2455-84-7 [RN]
ambenoxan
AMBENOXAN, (R)-
UNII-YBP650462L

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

7X6U82385U [DBID]
UNII:7X6U82385U [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 363.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.9±3.0 kJ/mol
Flash Point: 152.9±14.6 °C
Index of Refraction: 1.503
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 36.09
Polar Surface Area: 49 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

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