ChemSpider 2D Image | tert-Butyl 3-(((benzyloxy)carbonyl)amino)-[1,3'-biazetidine]-1'-carboxylate | C19H27N3O4

tert-Butyl 3-(((benzyloxy)carbonyl)amino)-[1,3'-biazetidine]-1'-carboxylate

  • Molecular FormulaC19H27N3O4
  • Average mass361.435 Da
  • Monoisotopic mass361.200165 Da
  • ChemSpider ID28540147

More details:

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

[1,3'-Biazetidine]-1'-carboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
1356087-48-3 [RN]
2-Methyl-2-propanyl 3-{[(benzyloxy)carbonyl]amino}-1,3'-biazetidine-1'-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(benzyloxy)carbonyl]amino}-1,3'-biazetidin-1'-carboxylat [German] [ACD/IUPAC Name]
3-{[(Benzyloxy)carbonyl]amino}-1,3'-biazétidine-1'-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(((benzyloxy)carbonyl)amino)-[1,3'-biazetidine]-1'-carboxylate
MFCD21607936 [MDL number]
tert-butyl 3-(benzyloxycarbonylamino)-1,3'-biazetidine-1'-carboxylate
tert-Butyl 3-{[(benzyloxy)carbonyl]amino}[1,3'-biazetidine]-1'-carboxylate
TERT-BUTYL-3-(((BENZYLOXY)CARBONYL)AMINO)-[1,3'-BIAZETIDINE]-1'-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 497.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.5±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.70
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 21.06
ACD/KOC (pH 7.4): 253.24
Polar Surface Area: 71 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 293.5±5.0 cm3

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