-
Name
4-oxo-2S-[[(phenymethyoxy)carbonyl]amino]-butyric acid phenymethyl ester
- EINECS
- CAS No. 58578-45-3
- Article Data9
- CAS DataBase
- Density 1.223
- Solubility
- Melting Point 80.5-82 ºC
- Formula C19H19 N O5
- Boiling Point 534.1°C at 760 mmHg
- Molecular Weight 341.364
- Flash Point 276.8°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Butanoicacid, 4-oxo-2-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester, (S)-
- PSA 81.70000
- LogP 3.00470
Benzyl 4-oxo-2-(S)-[[(phenylmethoxy)carbonyl]amino]butanoate Chemical Properties
Molecular Structure of Benzyl 4-oxo-2-(S)-[[(phenylmethoxy)carbonyl]amino]butanoate (CAS No.58578-45-3):
Molecular Formula: C19H19NO5
Molecular Weight: 341.3579
CAS No: 58578-45-3
H bond acceptors: 6
H bond donors: 1
Freely Rotating Bonds: 10
Polar Surface Area: 72.91 Å2
Index of Refraction: 1.564
Molar Refractivity: 90.74 cm3
Molar Volume: 278.9 cm3
Surface Tension: 49.1 dyne/cm
Density: 1.223 g/cm3
Flash Point: 276.8 °C
Enthalpy of Vaporization: 81.03 kJ/mol
Boiling Point: 534.1 °C at 760 mmHg
Vapour Pressure: 1.74E-11 mmHg at 25°C
InChI: InChI=1/C19H19NO5/c21-12-11-17(18(22)24-13-15-7-3-1-4-8-15)20-19(23)25-14-16-9-5-2-6-10-16/h1-10,12,17H,11,13-14H2,(H,20,23)
InChIKey: DXBNGOWOMMHJKK-UHFFFAOYAT
Std. InChI: InChI=1S/C19H19NO5/c21-12-11-17(18(22)24-13-15-7-3-1-4-8-15)20-19(23)25-14-16-9-5-2-6-10-16/h1-10,12,17H,11,13-14H2,(H,20,23)
Std. InChIKey: DXBNGOWOMMHJKK-UHFFFAOYSA-N
Systematic Name: Benzyl 2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoate
Benzyl 4-oxo-2-(S)-[[(phenylmethoxy)carbonyl]amino]butanoate Specification
Benzyl 4-oxo-2-(S)-[[(phenylmethoxy)carbonyl]amino]butanoate (CAS No.58578-45-3), its synonyms are (S)-4-Oxo-2-[[(phenylmethoxy)carbonyl]amino]butanoic acid phenylmethyl ester ; Benzyl 2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoate ; Butanoic acid, 4-oxo-2-[[(phenylmethoxy)carbonyl]amino]-, phenylmethyl ester .
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