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L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-ethyl-

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Name

L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-ethyl-

EINECS N/A
CAS No. 16947-82-3 Density 1.16 g/cm3
PSA 100.93000 LogP 2.10830
Solubility N/A Melting Point N/A
Formula C10H19NO4S Boiling Point 400.3 °C at 760 mmHg
Molecular Weight 249.331 Flash Point 195.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16947-82-3 (BOC-CYS(ET)-OH) Hazard Symbols N/A
Synonyms

Boc-(S-ethyl)Cys-OH; Boc-Cys(Et)-Oh; N-Boc-S-ethyl-L-cysteine;

Article Data 2

L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-ethyl- Specification

The L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-ethyl-  is an organic compound with the formula C10H19NO4S. The systematic name of this chemical is N-(Tert-butoxycarbonyl)-S-ethyl-L-cysteine. With the CAS registry number 16947-82-3, it is also named as Boc-S-Ethyl-L-cysteine. Besides, it should be stored at -15 °C.

Physical properties about L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-ethyl-  are: (1)ACD/LogP: 2.70; (2)ACD/LogD (pH 5.5): 0.37; (3)ACD/LogD (pH 7.4): -0.93; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.32; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 81.14 Å2; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 63.23 cm3; (14)Molar Volume: 214.9 cm3; (15)Polarizability: 25.06×10-24 cm3; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.16 g/cm3; (18)Flash Point: 195.9 °C; (19)Enthalpy of Vaporization: 71.46 kJ/mol; (20)Boiling Point: 400.3 °C at 760 mmHg; (21)Vapour Pressure: 1.58E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H19NO4S/c1-5-16-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
(2)InChIKey: IBCCMMVPGKVLAX-ZETCQYMHBV
(3)Std. InChI: InChI=1S/C10H19NO4S/c1-5-16-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1
(4)Std. InChIKey: IBCCMMVPGKVLAX-ZETCQYMHSA-N

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