ChemSpider 2D Image | Ethyl 3-[4-(1H-tetrazol-1-ylacetyl)-1,4-diazepan-1-yl]-1-pyrrolidinecarboxylate | C15H25N7O3

Ethyl 3-[4-(1H-tetrazol-1-ylacetyl)-1,4-diazepan-1-yl]-1-pyrrolidinecarboxylate

  • Molecular FormulaC15H25N7O3
  • Average mass351.404 Da
  • Monoisotopic mass351.201874 Da
  • ChemSpider ID78871296

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[hexahydro-4-[2-(1H-tetrazol-1-yl)acetyl]-1H-1,4-diazepin-1-yl]-, ethyl ester [ACD/Index Name]
3-{4-[2-(1H-Tétrazol-1-yl)acétyl]-1,4-diazépan-1-yl}-1-pyrrolidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[4-(1H-tetrazol-1-ylacetyl)-1,4-diazepan-1-yl]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Ethyl-3-[4-(1H-tetrazol-1-ylacetyl)-1,4-diazepan-1-yl]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
ethyl 3-[4-(1H-tetrazol-1-ylacetyl)-1,4-diazepan-1-yl]pyrrolidine-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 549.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 286.2±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.72
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 97 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 246.0±7.0 cm3

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