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

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Name

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

EINECS 241-018-0
CAS No. 16948-04-2 Density N/A
PSA 125.99000 LogP 7.47510
Solubility 5% soluble in methanol Melting Point 114-116 °C
Formula C19H28N2O6.C12H23N Boiling Point 587 °C at 760 mmHg
Molecular Weight 561.762 Flash Point 308.8 °C
Transport Information N/A Appearance white fine crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 16948-04-2 (BOC-LYS(Z)-OH DCHA) Hazard Symbols N/A
Synonyms

(2S)-6-phenylmethoxycarbonylamino-2-(tert-butoxycarbonylamino)hexanoate;N6-((Benzyloxy)carbonyl)-N2-((tert-butoxy)carbonyl)-L-lysine, compound with dicyclohexylamine (1:1);BOC-LYS(Z)-OH DCHA;Boc-Lys(Z)-OH?DCHA;Boc-Lys(Z)-OH·DCHA;

 

N6-[(Benzyloxy)carbonyl]-N2-[(tert-butoxy)carbonyl]-L-lysine dicyclohexylamine Specification

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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