ChemSpider 2D Image | Amino(4-{[(5-{1-[(E)-[(2-ethoxy-2-oxoethoxy)imino](2-pyridinyl)methyl]cyclopropyl}-1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenyl)methaniminium | C29H32N7O3

Amino(4-{[(5-{1-[(E)-[(2-ethoxy-2-oxoethoxy)imino](2-pyridinyl)methyl]cyclopropyl}-1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenyl)methaniminium

  • Molecular FormulaC29H32N7O3
  • Average mass526.609 Da
  • Monoisotopic mass526.256104 Da
  • ChemSpider ID21201356

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

Amino(4-{[(5-{1-[(E)-[(2-ethoxy-2-oxoethoxy)imino](2-pyridinyl)methyl]cyclopropyl}-1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenyl)methaniminium [ACD/IUPAC Name]
Amino(4-{[(5-{1-[(E)-[(2-ethoxy-2-oxoethoxy)imino](2-pyridinyl)methyl]cyclopropyl}-1-methyl-1H-benzimidazol-2-yl)methyl]amino}phenyl)methaniminium [German] [ACD/IUPAC Name]
Amino(4-{[(5-{1-[(E)-[(2-éthoxy-2-oxoéthoxy)imino](2-pyridinyl)méthyl]cyclopropyl}-1-méthyl-1H-benzimidazol-2-yl)méthyl]amino}phényl)méthaniminium [French] [ACD/IUPAC Name]
Benzenemethaniminium, α-amino-4-[[[5-[1-[(E)-[(2-ethoxy-2-oxoethoxy)imino]-2-pyridinylmethyl]cyclopropyl]-1-methyl-1H-benzimidazol-2-yl]methyl]amino]- [ACD/Index Name]

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

Density:
Boiling Point: 752.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.1±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.80
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 16.16
Polar Surface Area: 142 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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