ChemSpider 2D Image | (3aR,4R,7aS)-tert-Butyl 4-((tert-butoxycarbonyl)amino)hexahydro-1H-isoindole-2(3H)-carboxylate | C18H32N2O4

(3aR,4R,7aS)-tert-Butyl 4-((tert-butoxycarbonyl)amino)hexahydro-1H-isoindole-2(3H)-carboxylate

  • Molecular FormulaC18H32N2O4
  • Average mass340.458 Da
  • Monoisotopic mass340.236206 Da
  • ChemSpider ID27473848

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,7aS)-4-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)octahydro-2H-isoindole-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(3aR,4R,7aS)-tert-Butyl 4-((tert-butoxycarbonyl)amino)hexahydro-1H-isoindole-2(3H)-carboxylate
1799434-70-0 [RN]
2H-Isoindole-2-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]octahydro-, 1,1-dimethylethyl ester, (3aR,4R,7aS)- [ACD/Index Name]
2H-Isoindole-2-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]octahydro-, 1,1-dimethylethyl ester, (3aR,4R,7aS)-rel-
2-Methyl-2-propanyl (3aR,4R,7aS)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)octahydro-2H-isoindole-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aR,4R,7aS)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)octahydro-2H-isoindol-2-carboxylat [German] [ACD/IUPAC Name]
(3aR,4R,7aS)-tert-butyl 4-(tert-butoxycarbonylamino)hexahydro-1H-isoindole-2(3H)-carboxylate
(3aR,4R,7aS)-tert-butyl-4-(tert-butoxycarbonylamino)hexahydro-1H-isoindole-2(3H)-carboxylate
1251001-17-8 [RN]
More...

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: 1.1±0.1 g/cm3
Boiling Point: 441.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 221.0±22.9 °C
Index of Refraction: 1.508
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 401.61
ACD/KOC (pH 5.5): 2543.34
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 401.60
ACD/KOC (pH 7.4): 2543.32
Polar Surface Area: 68 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 310.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement