CAS No.114342-15-3,H-GLY-OBZL P-TOSYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114342-15-3
Name:	H-GLY-OBZL P-TOSYLATE

Formula:	C₁₆H₁₉NO₅S
Molecular Weight:	337.39
Synonyms:	L-GLYCINE BENZYL ESTER P-TOLUENESULFONATE SALT;H-GLY-OBZL P-TOSYLATE;H-GLY-OBZL TOS;H-GLY-OBZL TOSOH;GLY-OBZL TOS;GLY-OBZL TSOH;GLYCINE-OBZL P-TOSYLATE;GLYCINE BENZYL ESTER 4-TOLUENESULFONATE
EINECS:	217-094-6
Melting Point:	132-134 °C
Boiling Point:	245.5 °C at 760 mmHg
Flash Point:	110.3 °C
PSA:	115.07000
LogP:	3.71130

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Specification

The H-Gly-obzL P-Tosylate is an organic compound with the formula C₁₆H₁₉NO₅S. The systematic name of this chemical is benzyl glycinate 4-methylbenzenesulfonate. With the CAS registry number 114342-15-3, it is also named as Glycine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1). The product's categoy is Intermediate of Racecadotril.

Physical properties about H-Gly-obzL P-Tosylate are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): -0.83; (3)ACD/LogD (pH 7.4): 0.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.75; (6)ACD/KOC (pH 5.5): 1.29; (7)ACD/KOC (pH 7.4): 43.93; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54 Å²; (12)Flash Point: 110.3 °C; (13)Enthalpy of Vaporization: 48.26 kJ/mol; (14)Boiling Point: 245.5 °C at 760 mmHg; (15)Vapour Pressure: 0.0285 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(cc1)C.O=C(OCc1ccccc1)CN
(2)InChI: InChI=1/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)
(3)InChIKey: WJKJXKRHMUXQSL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)
(5)Std. InChIKey: WJKJXKRHMUXQSL-UHFFFAOYSA-N