Z-DL-ALA-OH

The CAS register number of Alanine,N-[(phenylmethoxy)carbonyl]- is 4132-86-9. It also can be called as N-Benzyloxycarbonyl-DL-alanine and the IUPAC name about this chemical is 2-(phenylmethoxycarbonylamino)propanoic acid. The molecular formula about this chemical is C₁₁H₁₃NO₄ and the molecular weight is 223.23. It belongs to the following product categories which include Amino Acids and Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about Alanine,N-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): -0.25; (3)ACD/LogD (pH 7.4): -1.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84Ų; (12)Index of Refraction: 1.544; (13)Molar Refractivity: 56.59 cm³; (14)Molar Volume: 179 cm³; (15)Polarizability: 22.43x10^-24cm³; (16)Surface Tension: 49.5 dyne/cm; (17)Flash Point: 209.1 °C; (18)Enthalpy of Vaporization: 71.29 kJ/mol; (19)Boiling Point: 422.1 °C at 760 mmHg; (20)Vapour Pressure: 7.05E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by carbonochloridic acid benzyl ester and L-alanine. The yield is about 70%.

Uses of Alanine,N-[(phenylmethoxy)carbonyl]-: it can be used to produce Carbobenzoxy-alaninanilid with aniline at temperature of 0 - 20 ℃. This reaction will need reagent CDMT, NMM and solvent tetrahydrofuran. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)OCc1ccccc1)C
(2)InChI: InChI=1/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)
(3)InChIKey: TYRGLVWXHJRKMT-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)
(5)Std. InChIKey: TYRGLVWXHJRKMT-UHFFFAOYSA-N