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| CAS No.: | 14717-97-6 |
|---|---|
| Name: | DL-4-Thiazolylalanine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H8N2O2S |
| Molecular Weight: | 172.208 |
| Synonyms: | 4-Thiazolepropanoicacid, a-amino-, (?à)-;4-Thiazolepropionic acid, a-amino-, DL- (8CI);4-Thiazolealanine;b-(4-Thiazolyl)-DL-Alanine; |
| Density: | 1.433 g/cm3 |
| Melting Point: | 237℃ |
| Boiling Point: | 353.32 °C at 760 mmHg |
| Flash Point: | 167.482 °C |
| PSA: | 104.45000 |
| LogP: | 0.79780 |
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Specification
The 4-Thiazolepropanoicacid, a-amino-, also known as DL-4-Thiazolylalanine, is the organic compound with the formula C6H8N2O2S. With the CAS registry number 14717-97-6, its IUPAC name is 2-amino-3-(1,3-thiazol-4-yl)propanoic acid.
Physical properties of 4-Thiazolepropanoicacid, a-amino-: (1)ACD/LogP: -0.65; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.616; (10)Molar Refractivity: 41.969 cm3; (11)Molar Volume: 120.14 cm3; (12)Surface Tension: 71.353 dyne/cm; (13)Density: 1.433 g/cm3; (14)Flash Point: 167.482 °C; (15)Enthalpy of Vaporization: 63.128 kJ/mol; (16)Boiling Point: 353.32 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=CS1)CC(C(=O)O)N
(2)InChI: InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)
(3)InChIKey: WBZIGVCQRXJYQD-UHFFFAOYSA-N