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CAS No.: | 68766-96-1 |
---|---|
Name: | Ethyl D-(-)-pyroglutamate |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H11NO3 |
Molecular Weight: | 157.169 |
Synonyms: | (R)-5-Oxopyrrolidine-2-carboxylicacid ethyl ester;D-Pyroglutamic acid ethyl ester;Ethyl(R)-2-oxopyrrolidine-5-carboxylate; |
Density: | 1.161 g/cm3 |
Melting Point: | 53-57 °C |
Boiling Point: | 312.7 °C at 760 mmHg |
Flash Point: | 142.9 °C |
Appearance: | waxy solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 55.40000 |
LogP: | 0.15690 |
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This chemical is called Ethyl D-(-)-pyroglutamate, and its CAS registry number is 68766-96-1. With the molecular formula of C7H11NO3, its molecular weight is 157.17. Additionally, its product categories are Chiral Reagents; Heterocycles; Miscellaneous Reagents.
Other characteristics of the Ethyl D-(-)-pyroglutamate can be summarised as followings: (1)ACD/LogP: -1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.16; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 46.61 Å2; (10)Index of Refraction: 1.466; (11)Molar Refractivity: 37.5 cm3; (12)Molar Volume: 135.3 cm3; (13)Polarizability: 14.86×10-24cm3; (14)Surface Tension: 38.7 dyne/cm; (15)Density: 1.161 g/cm3; (16)Flash Point: 142.9 °C; (17)Enthalpy of Vaporization: 55.38 kJ/mol; (18)Boiling Point: 312.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000519 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)[C@@H]1NC(=O)CC1
2.InChI: InChI=1/C7H11NO3/c1-2-11-7(10)5-3-4-6(9)8-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
3.InChIKey: QYJOOVQLTTVTJY-RXMQYKEDBT