ChemSpider 2D Image | 4-Chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine | C18H20ClN5O

4-Chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

  • Molecular FormulaC18H20ClN5O
  • Average mass357.837 Da
  • Monoisotopic mass357.135651 Da
  • ChemSpider ID28600008

More details:

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

1142945-83-2 [RN]
4-Chlor-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1H-pyrrolo[2,3-d]pyrimidin-2-amin [German] [ACD/IUPAC Name]
4-Chloro-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
4-Chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
4-Chloro-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1H-pyrrolo[2,3-d]pyrimidin-2-amine [ACD/IUPAC Name]
4-Chloro-N-{4-[2-(1-pyrrolidinyl)éthoxy]phényl}-1H-pyrrolo[2,3-d]pyrimidin-2-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- [ACD/Index Name]
4-Chloro-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-2-amine
MFCD16877462 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 100.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 10.08
Polar Surface Area: 66 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 262.6±3.0 cm3

Click to predict properties on the Chemicalize site


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