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Name |
L-Tyrosine,O-[(2,6-dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-N-methyl- |
EINECS | N/A |
CAS No. | 57817-43-3 | Density | 1.29 g/cm3 |
PSA | 76.07000 | LogP | 5.43500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H25Cl2NO5 | Boiling Point | 574.6 °C at 760 mmHg |
Molecular Weight | 454.35 | Flash Point | 301.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(Tert-Butoxycarbonyl)-O-(2,6-dichlorobenzyl)-N-methyl-L-tyrosine; |
The L-Tyrosine,O-[(2,6-dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, with the CAS registry number 57817-43-3, is also known as N-(Tert-Butoxycarbonyl)-O-(2,6-dichlorobenzyl)-N-methyl-L-tyrosine. This chemical's molecular formula is C22H25Cl2NO5 and molecular weight is 454.34. What's more, its systematic name is (2S)-2-[tert-butoxycarbonyl(methyl)amino]-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid.
Physical properties of L-Tyrosine,O-[(2,6-dichlorophenyl)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-N-methyl- are: (1)ACD/LogP: 6.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 2.71 ; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 76.07 Å2; (9)Index of Refraction: 1.573; (10)Molar Refractivity: 116.17 cm3; (11)Molar Volume: 352.1 cm3; (12)Polarizability: 46.05×10-24cm3; (13)Surface Tension: 48.1 dyne/cm; (14)Density: 1.29 g/cm3; (15)Flash Point: 301.3 °C; (16)Enthalpy of Vaporization: 90.55 kJ/mol; (17)Boiling Point: 574.6 °C at 760 mmHg; (18)Vapour Pressure: 4.84E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N(C)C(Cc1ccc(cc1)OCc2c(cccc2Cl)Cl)C(=O)O
(2)Std. InChI: InChI=1S/C22H25Cl2NO5/c1-22(2,3)30-21(28)25(4)19(20(26)27)12-14-8-10-15(11-9-14)29-13-16-17(23)6-5-7-18(16)24/h5-11,19H,12-13H2,1-4H3,(H,26,27)/t19-/m0/s1
(3)Std. InChIKey: PRQWZKPLKWYCDZ-IBGZPJMESA-N