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CAS No.: | 1596-65-2 |
---|---|
Name: | BETA-(2-THIAZOLYL)-DL-ALANINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H8N2O2S |
Molecular Weight: | 172.208 |
Synonyms: | 2-Thiazolepropanoicacid, a-amino-, (?à)-;2-Thiazolepropionic acid, a-amino-, DL- (8CI);2-Thiazole-DL-alanine;2-Thiazolealanine;2-Thiazolyl-DL-alanine; |
Density: | 1.433 g/cm3 |
Melting Point: | 202-204 °C(lit.) |
Boiling Point: | 339.9 °C at 760 mmHg |
Flash Point: | 159.4 °C |
Appearance: | Crystalline |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 104.45000 |
LogP: | 0.79780 |
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The 2-Thiazolepropanoicacid, α-amino- is an organic compound with the formula C6H8N2O2S. The IUPAC name of this chemical is 2-Amino-3-(1,3-thiazol-2-yl)propanoic acid. With the CAS registry number 1596-65-2, it is also named as 3-(2-Thiazolyl)-dl-alanine. Besides, it is crystalline. And it should be stored at − 20°C.
The physical properties of 2-Thiazolepropanoicacid, α-amino- are: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): -2.03; (3)ACD/LogD (pH 7.4): -2.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 70.67 Å2; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 41.96 cm3; (14)Molar Volume: 120.1 cm3; (15)Polarizability: 16.63×10-24 cm3; (16)Surface Tension: 71.3 dyne/cm; (17)Density: 1.433 g/cm3; (18)Flash Point: 159.4 °C; (19)Enthalpy of Vaporization: 61.58 kJ/mol; (20)Boiling Point: 339.9 °C at 760 mmHg; (21)Vapour Pressure: 3.44E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)Cc1nccs1
(2)InChI: InChI=1/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)
(3)InChIKey: PXFXXRSFSGRBRT-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H8N2O2S/c7-4(6(9)10)3-5-8-1-2-11-5/h1-2,4H,3,7H2,(H,9,10)
(5)Std. InChIKey: PXFXXRSFSGRBRT-UHFFFAOYSA-N