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The IUPAC name of L-Phenylalanine,phenylmethyl ester, hydrochloride (1:1) is benzyl 2-amino-3-phenylpropanoate hydrochloride. With the CAS registry number 2462-32-0, it is also named as Benzyl 3-phenyl-L-alaninate hydrochloride. The product's categories are Amino Acid Derivatives; Amino Acids; Phenylalanine [Phe, F]; Amino Acids and Derivatives; Amino Acid Benzyl Esters; Amino Acids (C-Protected); Biochemistry; Amino hydrochloride; Peptide Synthesis; Phenylalanine. It is white crystalline powder which is stable under normal temperature and pressure. In addition, this chemical can be used as biochemical reagent and pharmaceutical intermediate. Besides, it should be sealed in the container and stored in the cool and dry place. And this chemical is dangerous to people, so we should not breathe dust and avoid contact with skin and eyes.
The other characteristics of L-Phenylalanine,phenylmethyl ester, hydrochloride (1:1) can be summarized as: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 86; (7)ACD/KOC (pH 5.5): 32; (8)ACD/KOC (pH 7.4): 765; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (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; (15)Rotatable Bond Count: 6; (16)Exact Mass: 291.102607; (17)MonoIsotopic Mass: 291.102607; (18)Topological Polar Surface Area: 52.3; (19)Heavy Atom Count: 20; (20)Complexity: 268.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].O=C(OCc1ccccc1)[C@@H]([NH3+])Cc2ccccc2
2. InChI=1/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-;/m0./s1