Boc-4-chloro-L-phenylalanine supplier

Name
BOC-L-4-Chlorophe
EINECS
CAS No. 68090-88-0
Article Data16
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point 108 °C
Formula C₁₄H₁₈ClNO₄
Boiling Point 452.5 °C at 760 mmHg
Molecular Weight 299.754
Flash Point 227.5 °C
Transport Information
Appearance pale yellow granular powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (S)-2-(((tert-Butoxy)carbonyl)amino)-3-(4-chlorophenyl)propanoicacid;(S)-2-[(tert-Butoxycarbonyl)amino]-3-(p-chlorophenyl)propionic acid;BOC-4-chlorophenylalanine;N-(tert-Butoxycarbonyl)-4-chloro-L-phenylalanine;N-BOC-4-Chloro-L-phenylalanine;N-tert-Butoxycarbonyl-p-chloro-L-phenylalanine;tert-Butoxycarbonyl-L-4-chlorophenylalanine;Boc-Phe(4-Cl)-OH;
PSA 75.63000
LogP 3.25130

Boc-4-chloro-L-phenylalanine Specification

The IUPAC name of Boc-L-4-Chlorophenylalanine is (2S)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. With the CAS registry number 68090-88-0, it is also named as tert-Butoxycarbonyl-L-4-chlorophenylalanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Phenylalanine [Phe, F]; Unusual Amino Acids; Boc-Amino Acid Series; A-Amino. Besides, it is pale yellow granular powder, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Boc-L-4-Chlorophenylalanine can be summarized as: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.68; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 75.35 cm³; (14)Molar Volume: 240.5 cm³; (15)Surface Tension: 45.6 dyne/cm; (16)Density: 1.245 g/cm³; (17)Flash Point: 227.5 °C; (18)Melting point: 108 °C; (19)alpha: 24 °(c=1,EtOH); (20)Enthalpy of Vaporization: 75 kJ/mol; (21)Boiling Point: 452.5 °C at 760 mmHg; (22)Vapour Pressure: 5.61E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1ccc(cc1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
(3)InChIKey: BETBOAZCLSJOBQ-LLVKDONJBN
(4)Std. InChI: InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
(5)Std. InChIKey: BETBOAZCLSJOBQ-LLVKDONJSA-N

Product Name

BOC-L-4-Chlorophe

Boc-4-chloro-L-phenylalanine Specification

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