N6-[(Benzyloxy)carbonyl]-N2-[(tert-butoxy)carbonyl]-L-lysine dicyclohexylamine (16948-04-2)

The N6-[(Benzyloxy)carbonyl]-N2-[(tert-butoxy)carbonyl]-L-lysine dicyclohexylamine, with the CAS registry number 16948-04-2 and EINECS registry number 241-018-0, is also called Boc-Lys(Z)-OH (dicyclohexylammonium) salt. It is a kind of white fine crystalline powder, and should be stored at -20°C. The molecular formula of the chemical is C₁₉H₂₈N₂O₆^.C₁₂H₂₃N. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of N6-[(Benzyloxy)carbonyl]-N2-[(tert-butoxy)carbonyl]-L-lysine dicyclohexylamine are as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1.63; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.83; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 85.38 Å²; (13)Flash Point: 308.8 °C; (14)Enthalpy of Vaporization: 92.2 kJ/mol; (15)Boiling Point: 587 °C at 760 mmHg; (16)Vapour Pressure: 1.26E-14 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCCNC(=O)OCc1ccccc1.N(C1CCCCC1)C2CCCCC2
(2)InChI: InChI=1/C19H28N2O6.C12H23N/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2/t15-;/m0./s1
(3)InChIKey: BQERJWRZLXZNIO-RSAXXLAABR