Boc-D-2-thienylalanine supplier

Name
BOC-D-2-THIENYLALANINE
EINECS
CAS No. 78452-55-8
Density 1.243 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₄S
Boiling Point 431.5 °C at 760 mmHg
Molecular Weight 271.33
Flash Point 214.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Thiophenepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(R)-;(R)-2-[(tert-Butoxycarbonyl)amino]-3-(thiophen-2-yl)propionic acid;N-(tert-Butoxycarbonyl)-3-(2-thienyl)-D-alanine;tert-Butoxycarbonyl-D-2-thienylalanine;N-(tert-butoxycarbonyl)-3-thiophen-2-yl-D-alanine;(2R)-2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-thienyl)propanoic acid;2-thiophenepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-;N-(tert-Butoxycarbonyl)-3-(2-thienyl)-D-alanine;N-(tert-Butoxycarbonyl)-3-thiophen-2-yl-D-alanine;N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-thienyl)-D-alanine;
PSA 103.87000
LogP 2.65940

Boc-D-2-thienylalanine Specification

The Boc-D-2-thienylalanine, with the CAS registry number 78452-55-8, has the systematic name of N-(tert-butoxycarbonyl)-3-thiophen-2-yl-D-alanine. It is a kind of off-white to beige crystalline powder, and belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; α-amino. And the molecular formula of this chemical is C₁₂H₁₇NO₄S. What's more, it should be stored at 0-5°C.

The physical properties of Boc-D-2-thienylalanine are as following: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.9; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 84.08 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 68.84 cm³; (15)Molar Volume: 218.1 cm³; (16)Polarizability: 27.29×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.243 g/cm³; (19)Flash Point: 214.8 °C; (20)Enthalpy of Vaporization: 72.43 kJ/mol; (21)Boiling Point: 431.5 °C at 760 mmHg; (22)Vapour Pressure: 3.27E-08 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)Cc1sccc1
(2)InChI: InChI=1/C12H17NO4S/c1-12(2,3)17-11(16)13-9(10(14)15)7-8-5-4-6-18-8/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1
(3)InChIKey: OJLISTAWQHSIHL-SECBINFHBM

Product Name

BOC-D-2-THIENYLALANINE

Boc-D-2-thienylalanine Specification

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