CAS No.119434-75-2,BOC-L-4-THIAZOLYLALANINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	119434-75-2
Name:	BOC-L-4-THIAZOLYLALANINE
Article Data:	10

Formula:	C₁₁H₁₆N₂O₄S
Molecular Weight:	272.325
Synonyms:	4-Thiazolepropanoicacid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(thiazol-4-yl)propionic acid;(S)-2-[(tert-Butoxycarbonyl)amino]-3-(thiazol-4-yl)propanoic acid;(S)-2-[(tert-Butoxycarbonyl)amino]-3-(thiazol-4-yl)propionic acid;N-tert-Butoxycarbonyl-L-(4-thiazolyl)alanine;N-(tert-butoxycarbonyl)-3-(1,3-thiazol-4-yl)-L-alanine;
Density:	1.289 g/cm³
Melting Point:	122℃
Boiling Point:	456.788 °C at 760 mmHg
Flash Point:	230.057 °C
Appearance:	White to pale yellowish-beige powder
Hazard Symbols:	Xi
Safety:	24/25
PSA:	116.76000
LogP:	2.05440

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- China (Mainland)(43)
- United Kingdom(2)
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Specification

This chemical is called N-(tert-Butoxycarbonyl)-3-(1,3-thiazol-4-yl)-L-alanine, and its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid. With the molecular formula of C₁₁H₁₆N₂O₄S, its molecular weight is 272.3207. The CAS registry number of this chemical is 119434-75-2. Additionally, its product categories are Phenylalanine Analogs and Other Aromatic alpha Amino Acids; Amino Acid Derivatives.

Other characteristics of the N-(tert-Butoxycarbonyl)-3-(1,3-thiazol-4-yl)-L-alanine can be summarised as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -2.45; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 96.97 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 66.93 cm³; (15)Molar Volume: 211.3 cm³; (16)Polarizability: 26.53×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.288 g/cm³; (19)Flash Point: 230.1 °C; (20)Enthalpy of Vaporization: 75.53 kJ/mol; (21)Boiling Point: 456.8 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ncsc1
2.InChI: InChI=1/C11H16N2O4S/c1-11(2,3)17-10(16)13-8(9(14)15)4-7-5-18-6-12-7/h5-6,8H,4H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
3.InChIKey: RVXBTZJECMMZSB-QMMMGPOBBP