CAS No.36393-20-1,L-Aspartic acid zinc salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36393-20-1
Name:	L-Aspartic acid zinc salt
Article Data:	1

Formula:	2(C₄H₆NO₄)^.Zn
Molecular Weight:	329.582
Synonyms:	Zincate(2-),bis[L-aspartato(2-)-N,O1]-, dihydrogen, (T-4)-;Zincate(2-), bis[L-aspartato(2-)-kN,kO1]-, dihydrogen, (T-4)- (9CI);L-Aspartic acid, zinccomplex;Oksirich;Unizink 50;Zinc aspartate;Zinc hydroaspartate;
EINECS:	253-012-5
Boiling Point:	264.1 °C at 760 mmHg
Flash Point:	113.5 °C
PSA:	179.24000
LogP:	-1.01010

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Specification

The Zinc dihydrogen di-L-aspartate is an organic compound with the formula 2(C₄H₆NO₄)^.Zn. The IUPAC name of this chemical is zinc; (2R)-2-amino-4-hydroxy-4-oxobutanoate; (2S)-2-amino-4-hydroxy-4-oxobutanoate. With the CAS registry number 36393-20-1, it is also named as L-Aspartic acid zinc salt. The product's category is Amino Acid Salt.

Physical properties about Zinc dihydrogen di-L-aspartate are: (1)ACD/LogP: -0.67; (2)ACD/LogD (pH 5.5): -4.1; (3)ACD/LogD (pH 7.4): -4.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.84 Å²; (12)Flash Point: 113.5 °C; (13)Enthalpy of Vaporization: 55.26 kJ/mol; (14)Boiling Point: 264.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00289 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[O-]C(=O)[C@@H](N)CC(=O)O.[O-]C(=O)[C@H](N)CC(=O)O
(2)InChI: InChI=1/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m10./s1
(3)InChIKey: POEVDIARYKIEGF-XYBLZSPWBS
(4)Std. InChI: InChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m10./s1
(5)Std. InChIKey: POEVDIARYKIEGF-FMHLBKHZSA-L

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	80mg/kg (80mg/kg)		Agents and Actions, A Swiss Journal of Pharmacology. Vol. 14, Pg. 124, 1984.