CAS No.14173-40-1,DL-4-Chlorophenylalanine methyl ester hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	14173-40-1
Name:	DL-4-Chlorophenylalanine methyl ester hydrochloride
Article Data:	19

Formula:	C₁₀H₁₂ClNO₂^.HCl
Molecular Weight:	250.125
Synonyms:	4-Chloro-DL-phenylalanine methyl ester hydrochloride;Methyl 4-chloro-3-phenyl-DL-alaninate hydrochloride;
EINECS:	238-024-0
Melting Point:	186-189 °C(lit.)
Boiling Point:	296.3 °C at 760 mmHg
Flash Point:	133 °C
Appearance:	white to off-white powder
Safety:	24/25
PSA:	52.32000
LogP:	2.88510

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Specification

The DL-4-Chlorophenylalanine methyl ester hydrochloride, with CAS registry number 14173-40-1, belongs to the following product categories: (1)Phenylalanine [Phe, F]; (2)Unusual Amino Acids; (3)Amino hydrochloride; (4)Tryptophan Hydroxylase; (5)Enzyme Inhibitors; (6)Neurotransmitter Metabolism. It has the systematic name of methyl 4-chloro-L-phenylalaninate hydrochloride. This chemical should be stored at the temperature of −20°C. When use this chemical, avoid contact with skin and eyes.

Physical properties of DL-4-Chlorophenylalanine methyl ester hydrochloride: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 52.32 Å²; (7)Enthalpy of Vaporization: 58.39 kJ/mol; (8)Vapour Pressure: 0.000123 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1ccc(C[C@H](N)C(=O)OC)cc1
(2)InChI: InChI=1/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1
(3)InChIKey: GCBCWTWQAFLKJG-FVGYRXGTBG
(4)Std. InChI: InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m0./s1
(5)Std. InChIKey: GCBCWTWQAFLKJG-FVGYRXGTSA-N