Found 18 results

Search term: MF = 'C_{40}H_{51}N_{3}O_{4}'
ChemSpider 2D Image | 5,11,17-triamino-24,25,26,27-tetrapropoxycalix[4]arene | C40H51N3O4

5,11,17-triamino-24,25,26,27-tetrapropoxycalix[4]arene

  • Molecular FormulaC40H51N3O4
  • Average mass637.851 Da
  • Monoisotopic mass637.387939 Da
  • ChemSpider ID25936723

More details:

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

22,25,27,28-Tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-5,11,17-triamin [German] [ACD/IUPAC Name]
22,25,27,28-Tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17-triamine [ACD/IUPAC Name]
22,25,27,28-Tétrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène-5,11,17-triamine [French] [ACD/IUPAC Name]
5,11,17-triamino-24,25,26,27-tetrapropoxycalix[4]arene
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17-triamine, 22,25,27,28-tetrapropoxy- [ACD/Index 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: 871.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 510.4±28.0 °C
Index of Refraction: 1.597
Molar Refractivity: 193.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 124290.27
ACD/KOC (pH 5.5): 125340.41
ACD/LogD (pH 7.4): 7.42
ACD/BCF (pH 7.4): 255090.86
ACD/KOC (pH 7.4): 257246.16
Polar Surface Area: 115 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 567.0±3.0 cm3

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