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CAS No.: | 118554-00-0 |
---|---|
Name: | BOC-ORN(2-CL-Z)-OH |
Molecular Structure: | |
Formula: | C18H25ClN2O6 |
Molecular Weight: | 400.85 |
Synonyms: | Boc-Orn(2-Cl-Z)-OH; |
Density: | 1.256 g/cm3 |
Melting Point: | 114-118 °C |
Boiling Point: | 600.7 °C at 760 mmHg |
Flash Point: | 317.1 °C |
PSA: | 113.96000 |
LogP: | 4.10610 |
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The Boc-Orn(2-Cl-Z)-OH, with the CAS registry number 118554-00-0, is also known as N-Boc-N'-(2-chloro-Cbz)-L-ornithine. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Ornithine [Org]; Unusual Amino Acids; Boc-Amino acid series. This chemical's molecular formula is C18H25ClN2O6 and molecular weight is 400.85. Its systematic name is called N~2~-(tert-butoxycarbonyl)-N~5~-{[(2-chlorobenzyl)oxy]carbonyl}-L-ornithine.
Physical properties of Boc-Orn(2-Cl-Z)-OH: (1)ACD/LogP: 3.81; (2)#H bond acceptors: 8; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 11; (5)Index of Refraction: 1.534; (6)Molar Refractivity: 99.25 cm3; (7)Molar Volume: 318.9 cm3; (8)Surface Tension: 47.4 dyne/cm; (9)Density: 1.256 g/cm3; (10)Flash Point: 317.1 °C; (11)Enthalpy of Vaporization: 94.01 kJ/mol; (12)Boiling Point: 600.7 °C at 760 mmHg; (13)Vapour Pressure: 2.81E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1COC(=O)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C18H25ClN2O6/c1-18(2,3)27-17(25)21-14(15(22)23)9-6-10-20-16(24)26-11-12-7-4-5-8-13(12)19/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t14-/m0/s1
(3)InChIKey: QOWSQCSRXFQXKJ-AWEZNQCLBI