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| CAS No.: | 87553-74-0 |
|---|---|
| Name: | H-D-TYR-OTBU |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C13H19NO3 |
| Molecular Weight: | 237.299 |
| Synonyms: | D-Tyrosinetert-butyl ester;H-D-Tyr-OtBu; |
| Density: | 1.125 g/cm3 |
| Melting Point: | 142-143℃ |
| Boiling Point: | 358.1 °C at 760 mmHg |
| Flash Point: | 170.4 °C |
| Solubility: | Very slightly soluble in cold water. |
| Hazard Symbols: | Xi |
| Risk Codes: | 36-52 |
| Safety: | 26 |
| PSA: | 72.55000 |
| LogP: | 2.30400 |
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Specification
This chemical is called H-D-TYR-OTBU, and its systematic name is tert-butyl D-tyrosinate. With the molecular formula of C13H19NO3, its molecular weight is 237.29. The CAS registry number of this chemical is 87553-74-0. Additionally, its product categories are Amino Acids and Derivatives; Amino Acid Derivatives. This chemical should be stored at the temperature of 2-8 °C.
Other characteristics of the H-D-TYR-OTBU can be summarised as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 66.08 cm3; (9)Molar Volume: 210.7 cm3; (10)Polarizability: 26.19×10-24cm3; (11)Surface Tension: 44.3 dyne/cm; (12)Density: 1.125 g/cm3; (13)Flash Point: 170.4 °C; (14)Enthalpy of Vaporization: 62.73 kJ/mol; (15)Boiling Point: 358.1 °C at 760 mmHg; (16)Vapour Pressure: 1.26E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)[C@H](N)Cc1ccc(O)cc1
2.InChI: InChI=1/C13H19NO3/c1-13(2,3)17-12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3/t11-/m1/s1
3.InChIKey: DIGHFXIWRPMGSA-LLVKDONJBU