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CAS No.: | 56271-99-9 |
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Name: | H-DL-GLA-OH |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H9NO6 |
Molecular Weight: | 191.141 |
Synonyms: | DL-g-Carboxyglutamic acid;γ-Carboxyglutamate;γ-Carboxyglutamic acid; |
EINECS: | 260-087-8 |
Density: | 1.649 g/cm3 |
Melting Point: | 167 °C |
Boiling Point: | 418 °C at 760 mmHg |
Flash Point: | 206.6 °C |
Appearance: | Crystalline |
PSA: | 137.92000 |
LogP: | -0.72590 |
The 1,1,3-Propanetricarboxylicacid, 3-amino- is an organic compound with the formula C6H9NO6. The IUPAC name of this chemical is 3-Aminopropane-1,1,3-tricarboxylic acid. The CAS registry number of this chemical is 56271-99-9. Besides, it should be stored at 2-8 °C. And it is crystalline.
The physical properties of 1,1,3-Propanetricarboxylicacid, 3-amino- are: (1)ACD/LogP: -1.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.49; (4)ACD/LogD (pH 7.4): -6.08; (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: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 82.14 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 37.99 cm3; (15)Molar Volume: 115.8 cm3; (16)Polarizability: 15.06×10-24 cm3; (17)Surface Tension: 93.1 dyne/cm; (18)Density: 1.649 g/cm3; (19)Flash Point: 206.6 °C; (20)Enthalpy of Vaporization: 73.65 kJ/mol; (21)Boiling Point: 418 °C at 760 mmHg; (22)Vapour Pressure: 3.71E-08 mmHg at 25 °C.
Preparation: this chemical can be prepared by Benzyloxycarbonyl-g-carboxy-DL-glutamic acid. This reaction will need reagent H2, catalyst Pd-black and solvents methanol and H2O. The yield is about 73%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C(=O)O)CC(N)C(=O)O
(2)Std. InChI: InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)
(3)Std. InChIKey: UHBYWPGGCSDKFX-UHFFFAOYSA-N