ChemSpider 2D Image | (Amino{3-[3-({[3'-(ammoniomethyl)-4-biphenylyl]carbonyl}amino)-2-(methoxycarbonyl)butyl]phenyl}methylene)ammonium | C27H32N4O3

(Amino{3-[3-({[3'-(ammoniomethyl)-4-biphenylyl]carbonyl}amino)-2-(methoxycarbonyl)butyl]phenyl}methylene)ammonium

  • Molecular FormulaC27H32N4O3
  • Average mass460.567 Da
  • Monoisotopic mass460.246338 Da
  • ChemSpider ID21201349

  • Charge - Charge

More details:

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

(Amino{3-[3-({[3'-(ammoniomethyl)-4-biphenylyl]carbonyl}amino)-2-(methoxycarbonyl)butyl]phenyl}methylen)ammonium [German] [ACD/IUPAC Name]
(Amino{3-[3-({[3'-(ammoniomethyl)-4-biphenylyl]carbonyl}amino)-2-(methoxycarbonyl)butyl]phenyl}methylene)ammonium [ACD/IUPAC Name]
(Amino{3-[3-({[3'-(ammoniométhyl)-4-biphénylyl]carbonyl}amino)-2-(méthoxycarbonyl)butyl]phényl}méthylène)ammonium [French] [ACD/IUPAC Name]
[1,1'-Biphenyl]-3-methanaminium, 4'-[[[2-[[3-(aminoiminiomethyl)phenyl]methyl]-3-methoxy-1-methyl-3-oxopropyl]amino]carbonyl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

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