N-Boc-L-Histidine

The N-Boc-L-Histidine, with the CAS registry number 17791-52-5, is also known as N-(tert-Butoxycarbonyl)-L-histidine. It belongs to the product categories of Aminoacids derivatives; Amino Acids; Histidine [His, H]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino acid series. Its EINECS registry number is 241-768-9. This chemical's molecular formula is C₁₁H₁₇N₃O₄ and molecular weight is 255.27038. Its IUPAC name is called (2S)-3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. This chemical is white fine powder. The product should be sealed and stored in cool and dry place.

Physical properties of N-Boc-L-Histidine: (1)ACD/LogP: 0.58; (2)ACD/LogD (pH 5.5): -1.91; (3)ACD/LogD (pH 7.4): -2.13; (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: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 62.98 cm³; (13)Molar Volume: 200.1 cm³; (14)Surface Tension: 54.2 dyne/cm; (15)Density: 1.275 g/cm³; (16)Flash Point: 269.6 °C; (17)Enthalpy of Vaporization: 83.75 kJ/mol; (18)Boiling Point: 522.2 °C at 760 mmHg; (19)Vapour Pressure: 9.89E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must avoid contacting it with skin and eyes. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)O
(2)Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1)C(=O)O
(3)InChI: InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m0/s1
(4)InChIKey: AYMLQYFMYHISQO-QMMMGPOBSA-N