N-Cbz-L-Phenylalanine

The IUPAC name of Carbobenzoxyphenylalanine is 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid . With the CAS registry number 1161-13-3, it is also named as (Benzyloxycarbonyl)phenylalanine ; Carbobenzoxy-L-phenylalanine ; L-N-Carboxy-3-phenylalanine N-benzyl ester ; N-((Phenylmethoxy)carbonyl)-L-phenylalanine ; N-Carbobenzoxy-L-phenylalanine ; Alanine, N-carboxy-3-phenyl-, N-benzyl ester, L- .

The Carbobenzoxyphenylalanine is white amorphous powder which should be stored at RT. When heated to decomposition it emits toxic fumes of NO_x. This product can be used for protein and peptide synthesis, etc., and widely used in medicine, biochemistry, food, cosmetics and other products synthesis. It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin. Risk of impaired fertility. So people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.58 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.49 ; (4)ACD/LogD (pH 7.4): 0.02 ; (5)ACD/BCF (pH 5.5): 2.52 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 17.21 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 5 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 7 ; (12)Index of Refraction: 1.591 ; (13)Molar Refractivity: 81.08 cm³ ; (14)Molar Volume: 239.7 cm³ ; (15)Polarizability: 32.14×10^-24 cm³ ; (16)Surface Tension: 53 dyne/cm ; (17)Enthalpy of Vaporization: 82.38 kJ/mol ; (18)Vapour Pressure: 2.76E-11 mmHg at 25°C ; (19)Rotatable Bond Count: 7 ; (20)Tautomer Coun: 2 ; (21)Exact Mass: 299.115758 ; (22)MonoIsotopic Mass: 299.115758 ; (23)Topological Polar Surface Area: 75.6 ; (24)Heavy Atom Count: 22..

People can use the following data to convert to the molecule structure. SMILES: O=C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2; InChI: InChI=1/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20).  

The following is the toxicity data which has been tested.