ChemSpider 2D Image | (4R)-N~1~,N~1~-Bis(2-chloroethyl)-N~4~-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine | C23H28Cl3N3O

(4R)-N1,N1-Bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine

  • Molecular FormulaC23H28Cl3N3O
  • Average mass468.847 Da
  • Monoisotopic mass467.129791 Da
  • ChemSpider ID34988138

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-N1,N1-Bis(2-chlorethyl)-N4-(6-chlor-2-methoxy-9-acridinyl)-1,4-pentandiamin [German] [ACD/IUPAC Name]
(4R)-N1,N1-Bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-1,4-pentanediamine [ACD/IUPAC Name]
(4R)-N1,N1-Bis(2-chloroéthyl)-N4-(6-chloro-2-méthoxy-9-acridinyl)-1,4-pentanediamine [French] [ACD/IUPAC Name]
1,4-Pentanediamine, N1,N1-bis(2-chloroethyl)-N4-(6-chloro-2-methoxy-9-acridinyl)-, (4R)- [ACD/Index Name]
64046-79-3 [RN]
quinacrine mustard
UNII-8Y3YQP8GW6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 574.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 6.65
ACD/KOC (pH 5.5): 19.61
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1418.19
ACD/KOC (pH 7.4): 4184.83
Polar Surface Area: 37 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 368.8±3.0 cm3

Click to predict properties on the Chemicalize site


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