ChemSpider 2D Image | (S)-tert-Butyl 3-((3-nitropyridin-2-yl)amino)pyrrolidine-1-carboxylate | C14H20N4O4

(S)-tert-Butyl 3-((3-nitropyridin-2-yl)amino)pyrrolidine-1-carboxylate

  • Molecular FormulaC14H20N4O4
  • Average mass308.333 Da
  • Monoisotopic mass308.148468 Da
  • ChemSpider ID28539653

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-tert-Butyl 3-((3-nitropyridin-2-yl)amino)pyrrolidine-1-carboxylate
1417789-12-8 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(3-nitro-2-pyridinyl)amino]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
(3S)-3-[(3-Nitro-2-pyridinyl)amino]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-3-(3-Nitropyridin-2-ylamino)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(3-Nitro-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester
(s)-tert-butyl3-((3-nitropyridin-2-yl)amino)pyrrolidine-1-carboxylate
2-Methyl-2-propanyl (3S)-3-[(3-nitro-2-pyridinyl)amino]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(3-nitro-2-pyridinyl)amino]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
MFCD22631743 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 453.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.0±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 80.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.67
ACD/KOC (pH 5.5): 855.41
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.74
ACD/KOC (pH 7.4): 856.18
Polar Surface Area: 100 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 237.0±3.0 cm3

Click to predict properties on the Chemicalize site


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