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| CAS No.: | 5817-08-3 |
|---|---|
| Name: | N-Acetyl-DL-glutamic acid |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H11NO5 |
| Molecular Weight: | 189.168 |
| Synonyms: | Glutamicacid, N-acetyl-, DL- (8CI);DL-Acetylglutamic acid;N-Acetyl-DL-glutamic acid;NSC 10854; |
| EINECS: | 227-388-6 |
| Density: | 1.354g/cm3 |
| Melting Point: | 176-180 °C |
| Boiling Point: | 495.9°C at 760mmHg |
| Flash Point: | 253.7°C |
| PSA: | 103.70000 |
| LogP: | -0.16860 |
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- Total:28 Page 1 of 1 1
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Specification
The cas register number of N-Acetyl-DL-glutamic acid is 5817-08-3. It also can be called as DL-Acetylglutamic acid and the Systematic name about this chemical is 2-acetamidopentanedioic acid.
Physical properties about N-Acetyl-DL-glutamic acid are: (1)ACD/LogP: -2.24 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -5.37 ; (4)ACD/LogD (pH 7.4): -6.98 ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.91Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 41.19 cm3; (15)Molar Volume: 139.6 cm3; (16)Surface Tension: 57.5 dyne/cm; (17)Density: 1.354 g/cm3; (18)Flash Point: 253.7 °C; (19)Enthalpy of Vaporization: 83.6 kJ/mol; (20)Boiling Point: 495.9 °C at 760 mmHg; (21)Vapour Pressure: 3.48E-11 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C(NC(C(=O)O)CCC(=O)O)C
2.InChI: InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
3.InChIKey: RFMMMVDNIPUKGG-UHFFFAOYAV
4.Std. InChI: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13).