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86028-91-3

Basic Information
CAS No.: 86028-91-3
Name: Ethyl L-thiazolidine-4-carboxylate hydrochloride
Molecular Structure:
Molecular Structure of 86028-91-3 (Ethyl L-thiazolidine-4-carboxylate hydrochloride)
Formula: C6H12ClNO2S
Molecular Weight: 197.686
Synonyms: 4-Thiazolidinecarboxylicacid, ethyl ester, hydrochloride, (4R)- (9CI);4-Thiazolidinecarboxylic acid,ethyl ester, hydrochloride, (R)-;(4R)-Thiazolidinecarboxylic acid ethyl esterhydrochloride;Ethyl L-thiazolidine-4-carboxylate hydrochloride;
EINECS: 1806241-263-5
Boiling Point: 289.7 °C at 760 mmHg
Flash Point: 129 °C
PSA: 63.63000
LogP: 1.34280
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  • 86028-91-3  CAS NO.86028-91-3

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  • (R)-Ethyl thiazolidine-4-carboxylate hydrochloride

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    86028-91-3

    (R)-Ethyl thiazolidine-4-carboxylate hydrochloride

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  • Ethyl L-thiazolidine-4-carboxylate hydrochloride  CAS 86028-91-3

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    86028-91-3

    Ethyl L-thiazolidine-4-carboxylate hydrochloride CAS 86028-91-3

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  • Thiazolidine-4-carboxylate hydrochloride

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    86028-91-3

    Thiazolidine-4-carboxylate hydrochloride

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  • Ethyl L-thiazolidine-4-carboxylate hydrochloride

  • Casno:

    86028-91-3

    Ethyl L-thiazolidine-4-carboxylate hydrochloride

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 1.0-5.0

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  • Ethyl L-Thiazolidine-4-Carboxylate Hydrochloride

  • Casno:

    86028-91-3

    Ethyl L-Thiazolidine-4-Carboxylate Hydrochloride

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  • 4-Thiazolidinecarboxylicacid, ethyl ester, hydrochloride (1:1), (4R)-

  • Casno:

    86028-91-3

    4-Thiazolidinecarboxylicacid, ethyl ester, hydrochloride (1:1), (4R)-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Specification

The systematic name of Ethyl L-thiazolidine-4-carboxylate hydrochloride is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-α-methyl-D-phenylalanine. With the CAS registry number 86028-91-3, it is also named as (R)-4-Thiazolidinecarboxylic acid ethyl ester hydrochloride. In addition, its molecular formula is C6H12ClNO2S and its molecular weight is 197.68.

The other characteristics of Ethyl L-thiazolidine-4-carboxylate hydrochloride can be summarized as: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.29; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 38.68; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 63.63 Å2; (12)Flash Point: 129 °C; (13)Enthalpy of Vaporization: 53.96 kJ/mol; (14)Boiling Point: 289.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00164 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.O=C(OCC)C1CSCN1
(2)InChI: InChI=1/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H
(3)InChIKey: SQRLNYSSTHJCIU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-3-10-4-7-5;/h5,7H,2-4H2,1H3;1H
(5)Std. InChIKey: SQRLNYSSTHJCIU-UHFFFAOYSA-N