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CAS No.: | 1034-10-2 |
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Name: | DL-THYRONINE |
Molecular Structure: | |
Formula: | C15H15NO4 |
Molecular Weight: | 273.288 |
Synonyms: | Thyronine,DL- (8CI);DL-Thyronine;O-(4-Hydroxyphenyl)-DL-tyrosine; |
EINECS: | 213-854-6 |
Density: | 1.323 g/cm3 |
Boiling Point: | 477.7 °C at 760 mmHg |
Flash Point: | 242.7 °C |
PSA: | 92.78000 |
LogP: | 2.83920 |
The Tyrosine,O-(4-hydroxyphenyl)-, with the CAS registry number 1034-10-2, is also known as O-(4-Hydroxyphenyl)-DL-tyrosine. It belongs to the product category of Amino Acids. Its EINECS registry number is 213-854-6. This chemical's molecular formula is C15H15NO4 and molecular weight is 273.28. Its IUPAC name is called 2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid. What's more, the product should be sealed and stored at the temperature of -15 °C.
Physical properties of Tyrosine,O-(4-hydroxyphenyl)-: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): -0.25; (3)ACD/LogD (pH 7.4): -0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.26; (7)ACD/KOC (pH 7.4): 1.24; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 73.81 cm3; (13)Molar Volume: 206.4 cm3; (14)Surface Tension: 61.4 dyne/cm; (15)Density: 1.323 g/cm3; (16)Flash Point: 242.7 °C; (17)Enthalpy of Vaporization: 78.13 kJ/mol; (18)Boiling Point: 477.7 °C at 760 mmHg; (19)Vapour Pressure: 6.21E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)O
(2)InChI: InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)
(3)InChIKey: KKCIOUWDFWQUBT-UHFFFAOYSA-N