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| Name |
L-Tyrosine,3,5-diiodo-, ethyl ester, hydrochloride (9CI) |
EINECS | N/A |
| CAS No. | 74051-47-1 | Density | N/A |
| PSA | 72.55000 | LogP | 3.53660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H14ClI2NO3 | Boiling Point | 387.4 °C at 760 mmHg |
| Molecular Weight | 497.499 | Flash Point | 188.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3,5-Diiodo-L-tyrosine ethyl ester hydrochloride;Tyrosine, 3,5-diiodo-, ethyl ester, hydrochloride, L-;H-Tyr(3,5-I2)-OEt·HCl 3,5-Diiodo-L-tyrosine ethyl ester hydrochloride |
L-Tyrosine,3,5-diiodo-, ethyl ester, hydrochloride (9CI) Specification
The L-Tyrosine,3,5-diiodo-, ethyl ester, hydrochloride (9CI) is an organic compound with the formula C11H14ClI2NO3. The IUPAC name of this chemical is ethyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate hydrochloride. With the CAS registry number 74051-47-1, it is also named as 3,5-Diiodo-L-tyrosine ethyl ester hydrochloride.
Physical properties about L-Tyrosine,3,5-diiodo-, ethyl ester, hydrochloride (9CI) are: (1)ACD/LogP: 2.94; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 6.29; (5)ACD/BCF (pH 7.4): 21.42; (6)ACD/KOC (pH 5.5): 59; (7)ACD/KOC (pH 7.4): 200.93; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 38.77 Å2; (12)Flash Point: 188.1 °C; (13)Enthalpy of Vaporization: 66.13 kJ/mol; (14)Boiling Point: 387.4 °C at 760 mmHg; (15)Vapour Pressure: 1.49E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(I)c1O)C[C@@H](C(=O)OCC)N.Cl
(2)InChI: InChI=1/C11H13I2NO3.ClH/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6;/h3-4,9,15H,2,5,14H2,1H3;1H/t9-;/m0./s1
(3)InChIKey: ILBBOCVXEPIPBR-FVGYRXGTBG ; (4)Std. InChI: InChI=1S/C11H13I2NO3.ClH/c1-2-17-11(16)9(14)5-6-3-7(12)10(15)8(13)4-6;/h3-4,9,15H,2,5,14H2,1H3;1H/t9-;/m0./s1
(5)Std. InChIKey: ILBBOCVXEPIPBR-FVGYRXGTSA-N
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