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52-89-1

52-89-1 structural image
Product Name: L-Cysteine monohydrochloride
Formula: C3H8ClNO2S
Synonyms: L-Cysteine hydrochloride monohydrate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Sigma-Aldrich MSDS]
Color/Form Colorless crystals
Melting Point 260 °C decomposes
Solubility Freely soluble in water
LogP log Kow = -2.49
Stability/Shelf Life Stable under recommended storage conditions.
Optical Rotation Decomposes 175-178 °C; soluble in water, alcohol, acetone; the aqueous solution is acid; decomposes and oxidizes slowly; hygroscopic. Specific optical rotation: +5.0 °C (5 N HCl) at 25 °C/D; +10.0 °C at 25 °C/D (glacial acetic acid) /Cysteine hydrochloride/
Decomposition When heated to decomposition it emits very toxic fumes of /sulfur oxides and nitrogen oxides/.
Ionization Efficiency Positive
Dissociation Constants pK1 1.71 /carboxylic/; pK2 8.33 /amine/; pK3 10.78 /sulfide/
Other Experimental Properties Readily oxidizes to form a dimeric amino acid, cystine, in which the two cysteines are linked via a disulfide bridge, a common structural feature in proteins. Amino Acids and Proteins, D.M. Greenberg, Ed. (Charles C. Thomas, Springfield, IL, 1951) 950 pp.
Chemical Classes Biological Agents -> Amino Acids and Derivatives

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 157.62 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 156.9964274 g/mol
Monoisotopic Mass 156.9964274 g/mol
Topological Polar Surface Area 64.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 75.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

L-cysteine hydrochloride is a hydrochloride obtained by combining L-cysteine with one molar equivalent of hydrogen chloride. It has a role as an EC 4.3.1.3 (histidine ammonia-lyase) inhibitor, a flour treatment agent and a human metabolite. It contains a L-cysteinium.

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