Found 18 results

Search term: MF = 'C_{40}H_{51}N_{3}O_{4}'
ChemSpider 2D Image | 2,2',2''-[14-Oxapentacyclo[20.2.2.2~10,13~.1~15,19~.0~2,7~]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodecaene-3,16,24-triyltris(oxy)]tris(N,N-dimethylethanamine) | C40H51N3O4

2,2',2''-[14-Oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodecaene-3,16,24-triyltris(oxy)]tris(N,N-dimethylethanamine)

  • Molecular FormulaC40H51N3O4
  • Average mass637.851 Da
  • Monoisotopic mass637.387939 Da
  • ChemSpider ID90641143

More details:

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

2,2',2''-[14-Oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodecaen-3,16,24-triyltris(oxy)]tris(N,N-dimethylethanamin) [German] [ACD/IUPAC Name]
2,2',2''-[14-Oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodecaene-3,16,24-triyltris(oxy)]tris(N,N-dimethylethanamine) [ACD/IUPAC Name]
2,2',2''-[14-Oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10,12,15(27),16,18,22,25,28-dodécaène-3,16,24-triyltris(oxy)]tris(N,N-diméthyléthanamine) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 746.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 177.7±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 191.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 12.49
ACD/KOC (pH 7.4): 17.88
Polar Surface Area: 47 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 583.2±3.0 cm3

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