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L-4-Thiazolylalanine

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Name

L-4-Thiazolylalanine

EINECS N/A
CAS No. 119433-80-6 Density 1.433 g/cm3
PSA 104.45000 LogP 0.79780
Solubility Slightly soluble in water. Melting Point N/A
Formula C6H8N2O2S Boiling Point 353.3 °C at 760 mmHg
Molecular Weight 172.208 Flash Point 167.5 °C
Transport Information N/A Appearance N/A
Safety 26-35 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 119433-80-6 (L-4-THIAZOLYLALANINE) Hazard Symbols IrritantXi
Synonyms

4-Thiazolepropanoic acid, alpha-amino-, (S)-;(S)-3-(4-Thiazolyl)alanine;b-(4-Thiazolyl)-L-alanine;

Article Data 1

L-4-Thiazolylalanine Specification

This chemical is called 3-(4-Thiazolyl)-L-Alanine, and its IUPAC name is (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoic acid. With the molecular formula of C6H8N2O2S, its molecular weight is 172.20. The CAS registry number of this chemical is 119433-80-6. Additionally, its product categories are Amino Acid Derivatives; Amino Acids. It should be stored at -15°C.

Other characteristics of the 3-(4-Thiazolyl)-L-Alanine can be summarised as followings: (1)ACD/LogP: -0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.16; (4)ACD/LogD (pH 7.4): -3.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 70.67 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 41.96 cm3; (15)Molar Volume: 120.1 cm3; (16)Polarizability: 16.63×10-24cm3; (17)Surface Tension: 71.3 dyne/cm; (18)Density: 1.433 g/cm3; (19)Flash Point: 167.5 °C; (20)Enthalpy of Vaporization: 63.13 kJ/mol; (21)Boiling Point: 353.3 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. However, this material and its container must be disposed of in a safe way.

You can still convert the following datas into molecular structure
1.SMILES: O=C(O)[C@@H](N)Cc1ncsc1
2.InChI: InChI=1/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
3.InChIKey: WBZIGVCQRXJYQD-YFKPBYRVBI

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