ChemSpider 2D Image | (S)-tert-Butyl 4-(2-(((benzyloxy)carbonyl)amino)propyl)piperazine-1-carboxylate | C20H31N3O4

(S)-tert-Butyl 4-(2-(((benzyloxy)carbonyl)amino)propyl)piperazine-1-carboxylate

  • Molecular FormulaC20H31N3O4
  • Average mass377.478 Da
  • Monoisotopic mass377.231445 Da
  • ChemSpider ID28467146
  • defined stereocentres - 1 of 1 defined stereocentres


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

(S)-tert-Butyl 4-(2-(((benzyloxy)carbonyl)amino)propyl)piperazine-1-carboxylate
1,1-Dimethylethyl 4-[(2S)-2-[[(phenylmethoxy)carbonyl]amino]propyl]-1-piperazinecarboxylate
1245649-99-3 [RN]
1-Piperazinecarboxylic acid, 4-[(2S)-2-[[(phenylmethoxy)carbonyl]amino]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(2S)-2-{[(benzyloxy)carbonyl]amino}propyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(2S)-2-{[(benzyloxy)carbonyl]amino}propyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[(2S)-2-{[(Benzyloxy)carbonyl]amino}propyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(s)-tert-butyl 4-(2-(benzyloxycarbonylamino)-propyl)piperazine-1-carboxylate
(S)-tert-butyl 4-(2-(benzyloxycarbonylamino)propyl)piperazine-1-carboxylate
(S)-tert-butyl-4-(2-(benzyloxycarbonylamino)propyl)piperazine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.1±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 103.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 20.13
ACD/KOC (pH 5.5): 174.90
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.27
ACD/KOC (pH 7.4): 1071.16
Polar Surface Area: 71 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site






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