Boc-D-4-Thiazolylalanine supplier

Name
Boc-D-4-Thiazolylalanine
EINECS
CAS No. 134107-69-0
Article Data2
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂O₄S
Boiling Point 456.788 °C at 760 mmHg
Molecular Weight 272.325
Flash Point 230.057 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Thiazolepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(R)-;2-(R)-tert-Butoxycarbonylamino-3-(thiazol-4-yl)propionic acid;
PSA 116.76000
LogP 2.05440

Boc-D-4-Thiazolylalanine Specification

The Boc-L-4-Thiazolylalanine is an organic compound with the formula C₁₁H₁₆N₂O₄S. The systematic name of this chemical is N-(tert-butoxycarbonyl)-3-(1,3-thiazol-4-yl)-L-alanine. With the CAS registry number 134107-69-0, it is also named as (2S)-2-[(tert-butoxy)carbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid. The product's categories are Phenylalanine Analogs and other Aromatic Alpha Amino Acids; A-Amino. Besides, it should be stored in a closed place at temperature of -15 °C.

Physical properties about Boc-L-4-Thiazolylalanine are: (1)ACD/LogP: 1.19; (2)ACD/LogD (pH 5.5): -1.19; (3)ACD/LogD (pH 7.4): -2.45; (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: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 96.97 Å²; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 66.93 cm³; (14)Molar Volume: 211.3 cm³; (15)Polarizability: 26.53×10^-24cm³; (16)Surface Tension: 51.7 dyne/cm; (17)Density: 1.288 g/cm³; (18)Flash Point: 230.1 °C; (19)Enthalpy of Vaporization: 75.53 kJ/mol; (20)Boiling Point: 456.8 °C at 760 mmHg; (21)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
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: RVXBTZJECMMZSB-QMMMGPOBSA-N

Product Name

Boc-D-4-Thiazolylalanine

Boc-D-4-Thiazolylalanine Specification

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