Found 1 result

Search term: PCAGUNTYOILENZ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3-Anilino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid | C18H18N2O3

(3-Anilino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid

  • Molecular FormulaC18H18N2O3
  • Average mass310.347 Da
  • Monoisotopic mass310.131744 Da
  • ChemSpider ID25033435

More details:

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

(3-Anilino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetic acid [ACD/IUPAC Name]
(3-Anilino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)essigsäure [German] [ACD/IUPAC Name]
1H-1-Benzazepine-1-acetic acid, 2,3,4,5-tetrahydro-2-oxo-3-(phenylamino)- [ACD/Index Name]
Acide (3-anilino-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl)acétique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.0±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.92
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 238.7±3.0 cm3

Click to predict properties on the Chemicalize site


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