ChemSpider 2D Image | N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-1-butanamine | C13H19NO2

N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-1-butanamine

  • Molecular FormulaC13H19NO2
  • Average mass221.296 Da
  • Monoisotopic mass221.141586 Da
  • ChemSpider ID34987010

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Benzodioxin-2-methanamine, N-butyl-2,3-dihydro-, (2S)- [ACD/Index Name]
N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-1-butanamin [German] [ACD/IUPAC Name]
N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-1-butanamine [ACD/IUPAC Name]
N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylméthyl]-1-butanamine [French] [ACD/IUPAC Name]
4442-60-8 [RN]
butamoxane [INN]
UNII-7725983GSD

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

A5TI166V31 [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: 311.2±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 129.2±11.5 °C
Index of Refraction: 1.508
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.19
ACD/KOC (pH 7.4): 12.49
Polar Surface Area: 30 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 214.3±3.0 cm3

Click to predict properties on the Chemicalize site


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