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Name |
O-tert-Butyl-L-tyrosine |
EINECS | 242-712-6 |
CAS No. | 18822-59-8 | Density | 1.124 g/cm3 |
PSA | 72.55000 | LogP | 2.51860 |
Solubility | N/A | Melting Point |
238-243 °C(lit.) |
Formula | C13H19NO3 | Boiling Point | 374.5 °C at 760 mmHg |
Molecular Weight | 237.299 | Flash Point | 180.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Alanine,3-(p-tert-butoxyphenyl)-, L- (8CI);O-tert-Butyltyrosine;Tyrosine tert-butyl ether;H-Tyr(tBu)-OH; |
Article Data | 4 |
The L-Tyrosine,O-(1,1-dimethylethyl)- is an organic compound with the formula C13H19NO3. The IUPAC name of this chemical is (2S)-2-azaniumyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate. With the CAS registry number 18822-59-8, it is also named as (S)-2-Amino-3-(4-tert-butoxy-phenyl)-propionic acid. The product's categories are Amino Acid Derivatives; Amino Acids; Tyrosine [Tyr, Y]; Amino Acids and Derivatives; Amino Acid Derivatives; Peptide Synthesis; Tyrosine.
Physical properties about L-Tyrosine,O-(1,1-dimethylethyl)- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.27; (6)ACD/KOC (pH 7.4): 1.26; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 46.53 Å2; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 66.03 cm3; (13)Molar Volume: 211 cm3; (14)Polarizability: 26.17×10-24cm3; (15)Surface Tension: 43.8 dyne/cm; (16)Density: 1.124 g/cm3; (17)Flash Point: 180.3 °C; (18)Enthalpy of Vaporization: 65.61 kJ/mol; (19)Boiling Point: 374.5 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H]([NH3+])Cc1ccc(OC(C)(C)C)cc1
(2)InChI: InChI=1/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
(3)InChIKey: SNZIFNXFAFKRKT-NSHDSACABA
(4)Std. InChI: InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
(5)Std. InChIKey: SNZIFNXFAFKRKT-NSHDSACASA-N