Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Boc-2-chloro-D-phenylalanine |
EINECS | N/A |
CAS No. | 80102-23-4 | Density | 1.245 g/cm3 |
PSA | 75.63000 | LogP | 3.25130 |
Solubility | N/A | Melting Point |
94-98 °C |
Formula | C14H18ClNO4 | Boiling Point | 452.5 °C at 760 mmHg |
Molecular Weight | 299.754 | Flash Point | 227.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boc-D-Phe(2-Cl)-OH;Boc-D-2-Chlorophe;tert-Butoxycarbonyl-D-2-chlorophenylalanine; |
Article Data | 2 |
The D-Phenylalanine,2-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, with CAS registry number 80102-23-4, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Peptide; (4)A-amino. It has the systematic name of N-(tert-butoxycarbonyl)-2-chloro-L-phenylalanine. This chemical should be stored at the temperature of 0°C.
Physical properties of D-Phenylalanine,2-chloro-N-[(1,1-dimethylethoxy)carbonyl]-: (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): 15.63; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 75.35 cm3; (15)Molar Volume: 240.5 cm3; (16)Polarizability: 29.87×10-24cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Enthalpy of Vaporization: 75 kJ/mol; (19)Vapour Pressure: 5.61E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1C[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)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: TUUQJNHCVFJMPU-NSHDSACABF
(4)Std. InChI: InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(5)Std. InChIKey: TUUQJNHCVFJMPU-NSHDSACASA-N