ChemSpider 2D Image | 8-[(3-Amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,9-dimethyl-5-decanaminium | C30H54N3O6

8-[(3-Amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,9-dimethyl-5-decanaminium

  • Molecular FormulaC30H54N3O6
  • Average mass552.766 Da
  • Monoisotopic mass552.400696 Da
  • ChemSpider ID21239692

  • Charge - Charge

More details:

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

8-[(3-Amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,9-dimethyl-5-decanaminium [ACD/IUPAC Name]
8-[(3-Amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-[4-methoxy-3-(3-methoxypropoxy)benzyl]-2,9-dimethyl-5-decanaminium [German] [ACD/IUPAC Name]
8-[(3-Amino-2,2-diméthyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-[4-méthoxy-3-(3-méthoxypropoxy)benzyl]-2,9-diméthyl-5-décanaminium [French] [ACD/IUPAC Name]
Benzeneoctanamide, δ-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-γ-hydroxy-4-methoxy-3-(3-methoxypropoxy)-α,ζ-bis(1-methylethyl)-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 696.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 3.96
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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