ChemSpider 2D Image | 1-[(3R,4S)-3-Amino-4-isopropyl-1-pyrrolidinyl]-2-(2H-tetrazol-2-yl)ethanone | C10H18N6O

1-[(3R,4S)-3-Amino-4-isopropyl-1-pyrrolidinyl]-2-(2H-tetrazol-2-yl)ethanone

  • Molecular FormulaC10H18N6O
  • Average mass238.290 Da
  • Monoisotopic mass238.154205 Da
  • ChemSpider ID29702882

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3R,4S)-3-Amino-4-isopropyl-1-pyrrolidinyl]-2-(2H-tetrazol-2-yl)ethanon [German] [ACD/IUPAC Name]
1-[(3R,4S)-3-Amino-4-isopropyl-1-pyrrolidinyl]-2-(2H-tetrazol-2-yl)ethanone [ACD/IUPAC Name]
1-[(3R,4S)-3-Amino-4-isopropyl-1-pyrrolidinyl]-2-(2H-tétrazol-2-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3R,4S)-3-amino-4-(1-methylethyl)-1-pyrrolidinyl]-2-(2H-tetrazol-2-yl)- [ACD/Index Name]
(3R*,4S*)-4-isopropyl-1-(2H-tetrazol-2-ylacetyl)-3-pyrrolidinamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 433.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.1±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 63.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 90 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 164.7±7.0 cm3

Click to predict properties on the Chemicalize site


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