3-Amino-1,1,3-propanetricarboxylic acid supplier

Name
H-DL-GLA-OH
EINECS 260-087-8
CAS No. 56271-99-9
Article Data7
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point 167 °C
Formula C₆H₉NO₆
Boiling Point 418 °C at 760 mmHg
Molecular Weight 191.141
Flash Point 206.6 °C
Transport Information
Appearance Crystalline
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-g-Carboxyglutamic acid;γ-Carboxyglutamate;γ-Carboxyglutamic acid;
PSA 137.92000
LogP -0.72590

3-Amino-1,1,3-propanetricarboxylic acid Specification

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%.

1,1,3-Propanetricarboxylicacid, 3-amino- can be obtained by Benzyloxycarbonyl-g-carboxy-DL-glutamic acid

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

Product Name

H-DL-GLA-OH

3-Amino-1,1,3-propanetricarboxylic acid Specification

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