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2-Thiazolepropanoicacid, α-amino-

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Name

2-Thiazolepropanoicacid, α-amino-

EINECS N/A
CAS No. 1596-65-2 Density 1.433 g/cm3
PSA 104.45000 LogP 0.79780
Solubility N/A Melting Point 202-204 °C(lit.)
Formula C6H8N2O2S Boiling Point 339.9 °C at 760 mmHg
Molecular Weight 172.208 Flash Point 159.4 °C
Transport Information N/A Appearance Crystalline
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1596-65-2 (BETA-(2-THIAZOLYL)-DL-ALANINE) Hazard Symbols IrritantXi
Synonyms

2-Thiazolepropanoicacid, a-amino-, (?à)-;2-Thiazolepropionic acid, a-amino-, DL- (8CI);2-Thiazole-DL-alanine;2-Thiazolealanine;2-Thiazolyl-DL-alanine;

Article Data 2

2-Thiazolepropanoicacid, α-amino- Specification

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

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