ChemSpider 2D Image | Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylate | C20H25ClN4O4

Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylate

  • Molecular FormulaC20H25ClN4O4
  • Average mass420.890 Da
  • Monoisotopic mass420.156433 Da
  • ChemSpider ID11532233

More details:

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

4-[(3-Chloro-4-méthoxybenzyl)amino]-2-[2-(hydroxyméthyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(3-chloro-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(3-chlor-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
330785-83-6 [RN]
5-PyriMidinecarboxylic acid,4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)-1-pyrrolidinyl]-, ethyl ester
ethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate
Ethyl 6-aminohexanoate hydrochloride
MFCD17012696 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.2±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 110.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 873.64
ACD/KOC (pH 5.5): 3260.72
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2518.38
ACD/KOC (pH 7.4): 9399.40
Polar Surface Area: 97 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site


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