ChemSpider 2D Image | 2-Methyl-2-propanyl (6S)-3-amino-6-isopropyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate | C13H22N4O2

2-Methyl-2-propanyl (6S)-3-amino-6-isopropyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

  • Molecular FormulaC13H22N4O2
  • Average mass266.339 Da
  • Monoisotopic mass266.174286 Da
  • ChemSpider ID23499500

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-tert-butyl 3-amino-6-isopropyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
(S)-TERT-BUTYL-3-AMINO-6-ISOPROPYL-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
1263283-97-1 [RN]
MFCD12756155

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

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 434.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.6±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 25.50
ACD/KOC (pH 5.5): 337.71
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.89
ACD/KOC (pH 7.4): 395.82
Polar Surface Area: 84 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 222.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement