ChemSpider 2D Image | Amiodarone | C25H29I2NO3

Amiodarone

  • Molecular FormulaC25H29I2NO3
  • Average mass645.312 Da
  • Monoisotopic mass645.023682 Da
  • ChemSpider ID2072

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Featured data source



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

(2-butyl-1-benzofuran-3-yl)(4-{[2-(diethylamino)ethyl]oxy}-3,5-diiodophenyl)methanone
(2-Butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone [ACD/IUPAC Name]
(2-Butyl-1-benzofuran-3-yl){4-[2-(diéthylamino)éthoxy]-3,5-diiodophényl}méthanone [French] [ACD/IUPAC Name]
(2-Butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodphenyl}methanon [German] [ACD/IUPAC Name]
(2-Butyl-3-benzofuranyl)[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone
1951-25-3 [RN]
2012
217-772-1 [EINECS]
2-Butyl-3-[3,5-diiodo-4-(b-diethylaminoethoxy)benzoyl]benzofuran
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS114337 [DBID]
AIDS-114337 [DBID]
Bio1_000026 [DBID]
Bio1_000515 [DBID]
Bio1_001004 [DBID]
Bio2_000294 [DBID]
Bio2_000774 [DBID]
BRN 1271711 [DBID]
C06823 [DBID]
CBiol_001740 [DBID]
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 214.87
ACD/KOC (pH 5.5): 223.42
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 2617.19
ACD/KOC (pH 7.4): 2721.35
Polar Surface Area: 43 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

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