CAS No.3728-20-9,H-D-TYR-OME HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3728-20-9
Name:	H-D-TYR-OME HCL
Article Data:	39

Formula:	C₁₀H₁₄ClNO₃
Molecular Weight:	231.679
Synonyms:	D-Tyrosine,methyl ester, hydrochloride (9CI);Tyrosine, methyl ester, hydrochloride, D-(8CI);Methyl D-tyrosinate hydrochloride;H-D-Tyr-OMe.HCl;H-D-Tyr-OMe·HCl;
EINECS:	223-084-2
Melting Point:	177-179℃
Boiling Point:	330 °C at 760 mmHg
Flash Point:	153.4 °C
Appearance:	white crystalline powder
PSA:	72.55000
LogP:	1.93730

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Specification

The D-Tyrosine, methylester, hydrochloride (1:1), with CAS registry number 3728-20-9, belongs to the following product categories: (1)Amino Acids and Derivatives; (2)Amino hydrochloride; (3)Amino Acid Derivatives. It has the systematic name of methyl D-tyrosinate hydrochloride (1:1). This chemical should be stored at the temperature of 2-8°C.

Physical properties of D-Tyrosine, methylester, hydrochloride (1:1): (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): 0.22; (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): 22.93; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77 Å²; (13)Enthalpy of Vaporization: 59.53 kJ/mol; (14)Vapour Pressure: 8.89E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OC)[C@H](N)Cc1ccc(O)cc1
(2)InChI: InChI=1/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m1./s1
(3)InChIKey: VXYFARNRGZWHTJ-SBSPUUFOBB
(4)Std. InChI: InChI=1S/C10H13NO3.ClH/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m1./s1
(5)Std. InChIKey: VXYFARNRGZWHTJ-SBSPUUFOSA-N