Name: BOC-D-2-(5-BROMOTHIENYL)ALANINE
SKU: 261380-16-9

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Basic Information

Molecular Structure:
CAS No.:	261380-16-9
Name:	BOC-D-2-(5-BROMOTHIENYL)ALANINE
Article Data:	1

Formula:	C₁₂H₁₆BrNO₄S
Molecular Weight:	350.233
Synonyms:	(R)-N-Boc-2-(5-bromothienyl)alanine;N-Alpha-T-Butoxycarbonyl-d-2-(5-bromothienyl)alanine;N-Tert-Butoxycarbonyl-(5-bromo-2-thienyl)-d-alanine;Boc-D-Alpha-(5-bromothienyl)alanine;
Density:	1.494 g/cm³
Melting Point:	68.8 °C
Boiling Point:	473.8 °C at 760 mmHg
Flash Point:	240.4 °C
Appearance:	White crystalline powder
Safety:	24/25
PSA:	103.87000
LogP:	3.42190

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Specification

The CAS register number of 2-Thiophenepropanoicacid, 5-bromo-a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)- is 261380-16-9. It also can be called as Boc-D-Alpha-(5-bromothienyl)alanine and the systematic name about this chemical is 3-(5-bromothiophen-2-yl)-N-(tert-butoxycarbonyl)-D-alanine. The molecular formula about this chemical is C₁₂H₁₆BrNO₄S and the molecular weight is 350.23. It belongs to the following product categories which include Phenylalanine analogs and other aromatic alpha amino acids.

Physical properties about 2-Thiophenepropanoicacid, 5-bromo-a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(aR)- are: (1)ACD/LogP: 3.49; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): -0.11; (4)ACD/BCF (pH 5.5): 1.59; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.34; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 84.08 Å²; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 76.53 cm³; (14)Molar Volume: 234.3 cm³; (15)Polarizability: 30.33x10^-24cm³; (16)Surface Tension: 50 dyne/cm; (17)Density: 1.494 g/cm³; (18)Flash Point: 240.4 °C; (19)Enthalpy of Vaporization: 77.64 kJ/mol; (20)Boiling Point: 473.8 °C at 760 mmHg; (21)Vapour Pressure: 8.76E-10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
If you want to use this chemical, avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(cc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C12H16BrNO4S/c1-12(2,3)18-11(17)14-8(10(15)16)6-7-4-5-9(13)19-7/h4-5,8H,6H2,1-3H3,(H,14,17)(H,15,16)/t8-/m1/s1
(3)InChIKey: HHNNFRCLMQFXBA-MRVPVSSYBY
(4)Std. InChI: InChI=1S/C12H16BrNO4S/c1-12(2,3)18-11(17)14-8(10(15)16)6-7-4-5-9(13)19-7/h4-5,8H,6H2,1-3H3,(H,14,17)(H,15,16)/t8-/m1/s1
(5)Std. InChIKey: HHNNFRCLMQFXBA-MRVPVSSYSA-N