CAS No.20846-91-7,TRISODIUM ETHYLENEDIAMINE DISUCCINATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20846-91-7
Name:	TRISODIUM ETHYLENEDIAMINE DISUCCINATE
Article Data:	6

Formula:	C₁₀H₁₆N₂O₈
Molecular Weight:	292.246
Synonyms:	Asparticacid, N,N'-ethylenedi- (7CI);Aspartic acid, N,N'-ethylenedi-, L,L- (8CI);(S,S)-Ethylenediamine-N,N'-disuccinic acid;(S,S)-Ethylenediaminedisuccinicacid;(S,S)-Ethylenediaminedisuccinic acid;(S,S')-Ethylenediamine-N,N'-disuccinic acid;EDSS;L-Ethylenediaminedisuccinicacid;N,N'-1,2-Ethanediylbis[L-aspartic acid];N,N'-Bis(1,2-dicarboxyethyl)ethylenediamine;N,N'-Ethylenediaminedisuccinicacid;N,N'-Ethylenediaspartic acid;[S,S]-EDDS;N,N'-Ethylenedi-L-aspartic acid;
Density:	1.534 g/cm³
Melting Point:	220-222 °C
Boiling Point:	516.68 °C at 760 mmHg
Flash Point:	266.279 °C
Solubility:	150mg/L at 20℃
PSA:	173.26000
LogP:	-1.19680

Raw Materials

110-17-8

107-15-3

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Specification

The L-Aspartic acid,N,N'-1,2-ethanediylbis-, with CAS registry number 20846-91-7, has the systematic name of 2,2'-(ethane-1,2-diyldiimino)dibutanedioic acid (non-preferred name). Besides this, it is also called Trisodium ethylenediamine disuccinate. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C₁₀H₁₆N₂O₈.

Physical properties of L-Aspartic acid,N,N'-1,2-ethanediylbis-: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -4.91; (4)ACD/LogD (pH 7.4): -5.56; (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: 10; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 111.68 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 61.74 cm³; (15)Molar Volume: 190.4 cm³; (16)Polarizability: 24.47×10^-24cm³; (17)Surface Tension: 78.9 dyne/cm; (18)Density: 1.534 g/cm³; (19)Flash Point: 266.3 °C; (20)Enthalpy of Vaporization: 86.32 kJ/mol; (21)Boiling Point: 516.7 °C at 760 mmHg; (22)Vapour Pressure: 4.58E-12 mmHg at 25°C.

Preparation: this chemical can be prepared by ethane-1,2-diamine and maleic acid anhydride. The reaction will need reagent 50% NaOH and solvent H₂O. The reaction time is 48 hour(s) with reaction temperature of 75 - 85 ℃. The yield is about 89%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(NCCNC(C(=O)O)CC(=O)O)C(=O)O
(2)InChI: InChI=1/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
(3)InChIKey: VKZRWSNIWNFCIQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
(5)Std. InChIKey: VKZRWSNIWNFCIQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intravenous	> 500mg/kg (500mg/kg)		Journal of Antibiotics. Vol. 37, Pg. 426, 1984.