ChemSpider 2D Image | (6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol | C9H12N2O2

(6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol

  • Molecular FormulaC9H12N2O2
  • Average mass180.204 Da
  • Monoisotopic mass180.089874 Da
  • ChemSpider ID23270635

More details:

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

(6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol [ACD/IUPAC Name]
(6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol [German] [ACD/IUPAC Name]
(6-Amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)méthanol [French] [ACD/IUPAC Name]
2H-1,4-Benzoxazine-3-methanol, 6-amino-3,4-dihydro- [ACD/Index Name]
2,3-dihydro-3-hydroxymethyl-6-amino-[1,4]benzoxazine
896126-03-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL382894/
MFCD20668331

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 201.8±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.39
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.19
Polar Surface Area: 68 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 144.2±3.0 cm3

Click to predict properties on the Chemicalize site


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