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2212-69-3

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Basic Information
CAS No.: 2212-69-3
Name: Z-LYS(BOC)-ONP
Article Data: 6
Molecular Structure:
Molecular Structure of 2212-69-3 (Z-LYS(BOC)-ONP)
Formula: C25H31N3O8
Molecular Weight: 501.536
Synonyms: L-Lysine,N2,N6-dicarboxy-, N2-benzyl N6-tert-butyl p-nitrophenyl ester (6CI);Lysine,N2,N6-dicarboxy-, N2-benzyl N6-tert-butyl p-nitrophenyl ester, L- (7CI,8CI);Cbz-Lys(Boc)-ONp;NSC 164045;
Density: 1.234g/cm3
Melting Point: 93.5-94.5 °C
Boiling Point: 676.9 °C at 760 mmHg
Flash Point: 363.2 °C
PSA: 148.78000
LogP: 5.79520
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Specification

The L-Lysine,N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, 4-nitrophenylester, with CAS registry number 2212-69-3, belongs to the following product category: Amino Acid Derivatives. It has the systematic name of 4-nitrophenyl N~2~-[(benzyloxy)carbonyl]-N~6~-(tert-butoxycarbonyl). This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C25H31N3O8.

Physical properties of L-Lysine,N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, 4-nitrophenylester: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 11; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 131.2 Å2; (7)Index of Refraction: 1.554; (8)Molar Refractivity: 130.25 cm3; (9)Molar Volume: 406.2 cm3; (10)Polarizability: 51.63×10-24cm3; (11)Surface Tension: 48.4 dyne/cm; (12)Density: 1.234 g/cm3; (13)Flash Point: 363.2 °C; (14)Enthalpy of Vaporization: 99.38 kJ/mol; (15)Boiling Point: 676.9 °C at 760 mmHg; (16)Vapour Pressure: 3.5E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)C(NC(=O)OCc2ccccc2)CCCCNC(=O)OC(C)(C)C
(2)InChI: InChI=1/C25H31N3O8/c1-25(2,3)36-23(30)26-16-8-7-11-21(27-24(31)34-17-18-9-5-4-6-10-18)22(29)35-20-14-12-19(13-15-20)28(32)33/h4-6,9-10,12-15,21H,7-8,11,16-17H2,1-3H3,(H,26,30)(H,27,31)
(3)InChIKey: XBMRVOHLFIZDDV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C25H31N3O8/c1-25(2,3)36-23(30)26-16-8-7-11-21(27-24(31)34-17-18-9-5-4-6-10-18)22(29)35-20-14-12-19(13-15-20)28(32)33/h4-6,9-10,12-15,21H,7-8,11,16-17H2,1-3H3,(H,26,30)(H,27,31)
(5)Std. InChIKey: XBMRVOHLFIZDDV-UHFFFAOYSA-N