ChemSpider 2D Image | 2-Methyl-2-propanyl 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-pyrrolidinecarboxylate | C16H26N4O2

2-Methyl-2-propanyl 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-pyrrolidinecarboxylate

  • Molecular FormulaC16H26N4O2
  • Average mass306.403 Da
  • Monoisotopic mass306.205566 Da
  • ChemSpider ID31023720

More details:

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

1-Pyrrolidinecarboxylic acid, 2-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(6,7,8,9-Tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
[1610376-95-8] [RN]
1610376-95-8 [RN]
BS-3178
MFCD28023533 [MDL number]
t-Butyl 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carboxylate
tert-Butyl 2-(5h,6h,7h,8h,9h-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carboxylate
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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: 475.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.6±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 84.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.16
ACD/KOC (pH 5.5): 397.28
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.53
ACD/KOC (pH 7.4): 402.11
Polar Surface Area: 60 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 242.2±7.0 cm3

Click to predict properties on the Chemicalize site


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