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| CAS No.: | 5978-22-3 |
|---|---|
| Name: | H-LYS(Z)-OTBU HCL |
| Molecular Structure: | |
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| Formula: | C18H28N2O4.HCl |
| Molecular Weight: | 372.892 |
| Synonyms: | L-Lysine,N6-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester, monohydrochloride(9CI);Lysine, N6-carboxy-, N6-benzyl tert-butyl ester, monohydrochloride, L-(8CI); |
| Boiling Point: | 469.6 °C at 760 mmHg |
| Flash Point: | 237.8 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 90.65000 |
| LogP: | 4.64530 |
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Specification
The L-Lysine,N6-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1), with CAS registry number 5978-22-3, belongs to the following product categories: (1)Amino Acid Derivatives; (2)Amino Acids. It has the systematic name of (2S)-6-{[(benzyloxy)carbonyl]amino}-1-tert-butoxy-1-oxohexan-2-aminium chloride. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C18H28N2O4.HCl.
Physical properties of L-Lysine,N6-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1): (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 244; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 55.84 Å2; (13)Flash Point: 237.8 °C; (14)Enthalpy of Vaporization: 73.2 kJ/mol; (15)Boiling Point: 469.6 °C at 760 mmHg; (16)Vapour Pressure: 5.45E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(OC(C)(C)C)[C@@H]([NH3+])CCCCNC(=O)OCc1ccccc1
(2)InChI: InChI=1/C18H28N2O4.ClH/c1-18(2,3)24-16(21)15(19)11-7-8-12-20-17(22)23-13-14-9-5-4-6-10-14;/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22);1H/t15-;/m0./s1
(3)InChIKey: HEMZMPXAQORYDR-RSAXXLAABL
(4)Std. InChI: InChI=1S/C18H28N2O4.ClH/c1-18(2,3)24-16(21)15(19)11-7-8-12-20-17(22)23-13-14-9-5-4-6-10-14;/h4-6,9-10,15H,7-8,11-13,19H2,1-3H3,(H,20,22);1H/t15-;/m0./s1
(5)Std. InChIKey: HEMZMPXAQORYDR-RSAXXLAASA-N