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Search term: BNBLIFSAGIHMCH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{5-[2-(3-Aminopropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1H-pyrrol-3-yl}ethanone | C15H21N3OS

1-{5-[2-(3-Aminopropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1H-pyrrol-3-yl}ethanone

  • Molecular FormulaC15H21N3OS
  • Average mass291.412 Da
  • Monoisotopic mass291.140533 Da
  • ChemSpider ID129206256

More details:

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

1-{5-[2-(3-Aminopropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1H-pyrrol-3-yl}ethanon [German] [ACD/IUPAC Name]
1-{5-[2-(3-Aminopropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1H-pyrrol-3-yl}ethanone [ACD/IUPAC Name]
1-{5-[2-(3-Aminopropyl)-1,3-thiazol-4-yl]-4-éthyl-2-méthyl-1H-pyrrol-3-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-[2-(3-aminopropyl)-4-thiazolyl]-4-ethyl-2-methyl-1H-pyrrol-3-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 502.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 257.7±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 83.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 100 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 249.4±3.0 cm3

Click to predict properties on the Chemicalize site


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