ChemSpider 2D Image | TERT-BUTYL (3S)-3-[(6-CHLOROPYRIDIN-3-YL)METHOXY]PYRROLIDINE-1-CARBOXYLATE | C15H21ClN2O3

TERT-BUTYL (3S)-3-[(6-CHLOROPYRIDIN-3-YL)METHOXY]PYRROLIDINE-1-CARBOXYLATE

  • Molecular FormulaC15H21ClN2O3
  • Average mass312.792 Da
  • Monoisotopic mass312.124084 Da
  • ChemSpider ID27458182

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(6-Chloro-3-pyridinyl)méthoxy]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1261234-74-5 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(6-chloro-3-pyridinyl)methoxy]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[(6-chloro-3-pyridinyl)methoxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(6-chlor-3-pyridinyl)methoxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL (3S)-3-[(6-CHLOROPYRIDIN-3-YL)METHOXY]PYRROLIDINE-1-CARBOXYLATE
(S)-1-Boc-3-(6-Chloropyridin-3-ylmethoxy)pyrrolidine
(S)-3-(6-Chloropyridin-3-ylmethoxy)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(6-Chloro-pyridin-3-ylmethoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-((6-chloropyridin-3-yl)methoxy)pyrrolidine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 414.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.4±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 81.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.01
ACD/KOC (pH 5.5): 794.30
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 79.01
ACD/KOC (pH 7.4): 794.30
Polar Surface Area: 52 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 256.1±5.0 cm3

Click to predict properties on the Chemicalize site


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