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Boc-L-cysteine

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Name

Boc-L-cysteine

EINECS N/A
CAS No. 20887-95-0 Density 1.215 g/cm3
PSA 114.43000 LogP 1.28500
Solubility N/A Melting Point 67-70 °C
Formula C8H15NO4S Boiling Point 361.4 °C at 760 mmHg
Molecular Weight 221.277 Flash Point 172.3 °C
Transport Information N/A Appearance light yellow liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 20887-95-0 (BOC-CYS-OH) Hazard Symbols N/A
Synonyms

Boc-Cys-OH;

Article Data 1

Boc-L-cysteine Specification

The Boc-Cys-OH is an organic compound with the formula C8H15NO4S. The IUPAC name of this chemical is (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoic acid. With the CAS registry number 20887-95-0, it is also named as L-Cysteine, N-((1,1-dimethylethoxy)carbonyl)-. The product's categories are Pharmaceutical Intermediates; Amino Acids; Boc-Amino acid series. Besides, it is a light yellow liquid, which should be stored at temperature of -20 °C.

Physical properties about Boc-Cys-OH are: (1)ACD/LogP: 2.02; (2)ACD/LogD (pH 5.5): -0.48; (3)ACD/LogD (pH 7.4): -1.65; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 81.14 Å2; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 53.86 cm3; (14)Molar Volume: 181.9 cm3; (15)Polarizability: 21.35×10-24cm3; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.215 g/cm3; (18)Flash Point: 172.3 °C; (19)Enthalpy of Vaporization: 66.69 kJ/mol; (20)Boiling Point: 361.4 °C at 760 mmHg; (21)Vapour Pressure: 3.34E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CS
(2)InChI: InChI=1/C8H15NO4S/c1-8(2,3)13-7(12)9-5(4-14)6(10)11/h5,14H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-/m0/s1
(3)InChIKey: ATVFTGTXIUDKIZ-YFKPBYRVBZ
(4)Std. InChI: InChI=1S/C8H15NO4S/c1-8(2,3)13-7(12)9-5(4-14)6(10)11/h5,14H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-/m0/s1
(5)Std. InChIKey: ATVFTGTXIUDKIZ-YFKPBYRVSA-N

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