3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate supplier

Name
3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate
EINECS 217-096-7
CAS No. 1738-78-9
Article Data13
CAS DataBase
Density 1.142 g/cm³
Solubility
Melting Point 170.5-171.5 °C
Formula C₁₆H₁₇NO₂^.C₇H₈O₃S
Boiling Point 382.8 °C at 760 mmHg
Molecular Weight 427.521
Flash Point 220.4 °C
Transport Information
Appearance crystalline
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzyl 2-amino-3-phenyl-propanoate; 4-methylbenzenesulfonic acid;H-Phe-OBzl·Tos;O-benzyl-3-phenyl-L-alanine toluene-4-sulphonate;L-Phenylalanine benzyl ester tosylate;L-Phenylalanine benzyl ester p-toluenesulfonate;L-Phe-OBzl.Tos;
PSA 115.07000
LogP 5.32260

3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate Specification

The 3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate, with the CAS registry number 1738-78-9, is also known as O-Benzyl-3-phenyl-L-alanine toluene-4-sulphonate. It belongs to the product categories of Amino Acid Derivatives; Phenylalanine [Phe, F]; Amino ester. Its EINECS registry number is 217-096-7. This chemical's molecular formula is C₁₆H₁₇NO₂^.C₇H₈O₃S and molecular weight is 427.51. Its IUPAC name is called benzyl 2-amino-3-phenylpropanoate; 4-methylbenzenesulfonic acid. This chemical is crystalline. The product should be sealed and stored -20°C.

Physical properties of 3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 86; (6)ACD/KOC (pH 5.5): 32; (7)ACD/KOC (pH 7.4): 765; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Flash Point: 220.4 °C; (12)Enthalpy of Vaporization: 63.12 kJ/mol; (13)Boiling Point: 382.8 °C at 760 mmHg; (14)Vapour Pressure: 4.62E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N
(2)InChI: InChI=1S/C16H17NO2.C7H8O3S/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15H,11-12,17H2;2-5H,1H3,(H,8,9,10)
(3)InChIKey: ZLZGBBIPWXUQST-UHFFFAOYSA-N

Product Name

3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate

3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate Specification

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