ChemSpider 2D Image | DAL-9 | C31H44Cl2N2O4

DAL-9

  • Molecular FormulaC31H44Cl2N2O4
  • Average mass579.598 Da
  • Monoisotopic mass578.267822 Da
  • ChemSpider ID288402
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-oxooctadecahydronaphtho[2,1-f]chinolin-8-yl-{4-[bis(2-chlorethyl)amino]phenoxy}acetat [German] [ACD/IUPAC Name]
(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl {4-[bis(2-chloroethyl)amino]phenoxy}acetate [ACD/IUPAC Name]
{4-[Bis(2-chloroéthyl)amino]phénoxy}acétate de (4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-diméthyl-2-oxooctadécahydronaphto[2,1-f]quinoléin-8-yle [French] [ACD/IUPAC Name]
72273-04-2 [RN]
Acetic acid, 2-[4-[bis(2-chloroethyl)amino]phenoxy]-, (4aS,4bR,6aS,8S,10aS,10bS,12aS)-octadecahydro-10a,12a-dimethyl-2-oxonaphtho[2,1-f]quinolin-8-yl ester [ACD/Index Name]
BCT62GI7LE
DAL-9
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[6,5-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]ethanoate
17a-Aza-D-homoandrostan-17-one, 3-[[[4-[bis (2-chloroethyl)amino]phenoxy]acetyl]oxy]-, (3β, 5α)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 294859 [DBID]
NSC294859 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 710.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.2±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 155.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4389.86
ACD/KOC (pH 5.5): 13561.33
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5011.00
ACD/KOC (pH 7.4): 15480.16
Polar Surface Area: 68 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 467.3±5.0 cm3

Click to predict properties on the Chemicalize site






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