ChemSpider 2D Image | (~11~C)Methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate | C1811CH25Cl2N3O3

(11C)Methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate

  • Molecular FormulaC1811CH25Cl2N3O3
  • Average mass413.327 Da
  • Monoisotopic mass412.138733 Da
  • ChemSpider ID64854652

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11C)Methyl (3R)-4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
(11C)Methyl-(3R)-4-[(3,4-dichlorphenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(3R)-4-[2-(3,4-Dichlorophényl)acétyl]-3-(1-pyrrolidinylméthyl)-1-pipérazinecarboxylate de (11C)méthyle [French] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, methyl-11C ester, (3R)- [ACD/Index Name]
460091-46-7 [RN]

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

T5ZQY2A3DD [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 315.4±3.0 cm3

Click to predict properties on the Chemicalize site


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