Found 1 result

Search term: C15H13NO3 (Found by synonym)

ChemSpider 2D Image | 5-[(E)-{[(1R)-1-Phenylethyl]imino}methyl]-1,3-benzodioxol-4-ol | C16H15NO3

5-[(E)-{[(1R)-1-Phenylethyl]imino}methyl]-1,3-benzodioxol-4-ol

  • Molecular FormulaC16H15NO3
  • Average mass269.295 Da
  • Monoisotopic mass269.105194 Da
  • ChemSpider ID29785522
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1,3-Benzodioxol-4-ol, 5-[(E)-[[(1R)-1-phenylethyl]imino]methyl]- [ACD/Index Name]
5-[(E)-{[(1R)-1-Phenylethyl]imino}methyl]-1,3-benzodioxol-4-ol [German] [ACD/IUPAC Name]
5-[(E)-{[(1R)-1-Phenylethyl]imino}methyl]-1,3-benzodioxol-4-ol [ACD/IUPAC Name]
5-[(E)-{[(1R)-1-Phényléthyl]imino}méthyl]-1,3-benzodioxol-4-ol [French] [ACD/IUPAC Name]
(R,E)-5-(((1-phenylethyl)imino)methyl)benzo[d][1,3]dioxol-4-ol
Benzoic acid, 4-(aminomethyl)- (9CI)
c15h13no3
MFCD30178019

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 195.8±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 75.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 28.53
ACD/KOC (pH 5.5): 268.36
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 34.88
ACD/KOC (pH 7.4): 328.05
Polar Surface Area: 51 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 218.8±7.0 cm3

Click to predict properties on the Chemicalize site






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