ChemSpider 2D Image | 2-Methyl-2-propanyl 4-amino-N-[(benzyloxy)carbonyl]phenylalaninate | C21H26N2O4

2-Methyl-2-propanyl 4-amino-N-[(benzyloxy)carbonyl]phenylalaninate

  • Molecular FormulaC21H26N2O4
  • Average mass370.442 Da
  • Monoisotopic mass370.189270 Da
  • ChemSpider ID28536381

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Methyl-2-propanyl 4-amino-N-[(benzyloxy)carbonyl]phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-amino-N-[(benzyloxy)carbonyl]phenylalaninat [German] [ACD/IUPAC Name]
4-Amino-N-[(benzyloxy)carbonyl]phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
4-Amino-N-[(phenylmethoxy)carbonyl]-L-phenylalanine 1,1-dimethylethyl ester
869882-72-4 [RN]
Phenylalanine, 4-amino-N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(S)-tert-Butyl 3-(4-aminophenyl)-2-(((benzyloxy)carbonyl)amino)propanoate
(S)-tert-Butyl3-(4-aminophenyl)-2-(((benzyloxy)carbonyl)amino)propanoate
(S)-TERT-BUTYL-3-(4-AMINOPHENYL)-2-(((BENZYLOXY)CARBONYL)AMINO)PROPANOATE
[869882-72-4] [RN]
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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: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.3±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 435.51
ACD/KOC (pH 5.5): 2637.83
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.18
ACD/KOC (pH 7.4): 2841.75
Polar Surface Area: 91 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 317.0±3.0 cm3

Click to predict properties on the Chemicalize site


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