CAS No.14358-33-9,H-DL-ASP(OME)-OME HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14358-33-9
Name:	H-DL-ASP(OME)-OME HCL
Article Data:	16

Formula:	C₆H₁₂ClNO₄
Molecular Weight:	197.619
Synonyms:	H-DL-Asp(OMe)-OMe·HCl;Asparticacid, dimethyl ester, hydrochloride (9CI);Aspartic acid, dimethyl ester,hydrochloride, DL- (8CI);DL-Aspartic acid, dimethyl ester, hydrochloride;
EINECS:	250-957-5
Melting Point:	115-116.5℃ (ethanol ethyl acetate )
Boiling Point:	223 °C at 760 mmHg
Flash Point:	88.9 °C
Appearance:	white
Hazard Symbols:	Xi
Risk Codes:	42/43
Safety:	36/37
PSA:	78.62000
LogP:	0.55210

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Specification

This chemical is called Dimethyl L-aspartate hydrochloride (1:1), and its CAS registry number is 14358-33-9. With the molecular formula of C₆H₁₂ClNO₄, its molecular weight is 197.62. Additionally, this chemical should be sealed at the temperature of 2-8 °C.

Other characteristics of the Dimethyl L-aspartate hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.7; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.62; (8)ACD/KOC (pH 7.4): 19.17; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Flash Point: 88.9 °C; (14)Enthalpy of Vaporization: 45.95 kJ/mol; (15)Boiling Point: 223 °C at 760 mmHg; (16)Vapour Pressure: 0.0986 mmHg at 25°C.

Uses of this chemical: The Dimethyl L-aspartate hydrochloride (1:1) could react with 2,5-diethoxy-tetrahydro-furan, and obtain the 2-(pyrrol-1-yl)succinic acid dimethyl ester. This reaction needs the reagent of CH₃COOH, N(C₂H₅)₃. The yield is 80 %. In addition, this reaction should be taken for hours at the temperature of 80 °C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)C[C@H](N)C(=O)OC.Cl
2.InChI: InChI=1/C6H11NO4.ClH/c1-10-5(8)3-4(7)6(9)11-2;/h4H,3,7H2,1-2H3;1H/t4-;/m0./s1
3.InChIKey: PNLXWGDXZOYUKB-WCCKRBBIBP