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CAS No.: | 55757-60-3 |
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Name: | BOC-LYS(AC)-OH HCL |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C12H24N2O4.HCl |
Molecular Weight: | 260.334 |
Synonyms: | N-tert-Butoxycarbonyl-L-lysinemethyl ester;methyl N2-(tert-butoxycarbonyl)-L-lysinate hydrochloride;L-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, hydrochloride (1:1);Methyl N2-(tert-butoxycarbonyl)-L-lysinate hydrochloride (1:1);methyl (2S)-6-amino-2-{[(tert-butoxy)carbonyl]amino}hexanoate hydrochloride;N-Boc-L-lysine methyl ester hydrochloride; |
Density: | 1.056g/cm3 |
Boiling Point: | 404.4 °C at 760 mmHg |
Flash Point: | 198.4 °C |
PSA: | 90.65000 |
LogP: | 3.07490 |
The Boc-L-Lysine methyl ester hydrochloride, with the CAS registry number 55757-60-3, has the systematic name of methyl N2-(tert-butoxycarbonyl)-L-lysinate hydrochloride. It should be stored at 0°C, and belongs to the following product categories: Lysine [Lys, K]; Boc-Amino Acids and Derivative; Boc-Amino acid series. And molecular formula of the chemical is C12H24N2O4.HCl.
The characteristics of Boc-L-Lysine methyl ester hydrochloride are as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 90.65 Å2; (7)Flash Point: 198.4 °C; (8)Enthalpy of Vaporization: 66.86 kJ/mol; (9)Boiling Point: 404.4 °C at 760 mmHg; (10)Vapour Pressure: 6.2E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)OC.Cl
(2)InChI: InChI=1/C12H24N2O4.ClH/c1-12(2,3)18-11(16)14-9(10(15)17-4)7-5-6-8-13;/h9H,5-8,13H2,1-4H3,(H,14,16);1H/t9-;/m0./s1
(3)InChIKey: NNUQENKCQXPGJG-FVGYRXGTBH