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
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