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L-Cysteine hydrochloride anhydrous(CAS No. 52-89-1)

L-Cysteine hydrochloride anhydrous C3H8ClNO2S (cas 52-89-1) Molecular Structure

52-89-1 Structure

Identification and Related Records

【Name】
L-Cysteine hydrochloride anhydrous
【CAS Registry number】
52-89-1
【Synonyms】
(R)-Cysteine hydrochloride
Cysteine monohydrochloride
3-Mercaptoalanine hydrochloride
Cysteine chlorohydrate
(2R)-2-amino-3-sulfanyl-propanoic acid hydrochloride
Cysteine, L-, monohydrochloride
L-(+ )-Cysteine hydrochloride
L-Cysteine HCl Anhydrous
L-Cysteine HCl Anhy
(R)-Cysteine-hydrochloride
L-(+)-Cysteine hydrochloride
L-2-Amino-3-mercaptopropanoic acid monohydrochloride
H-Cys-OH.HCl
L- Cysteine Hydrochloride Anhydrous
L-Cysteine hydrochloride monohydrate
L-Cysteine HCL anhydrouse
L-Cysteine hydrochloride anhydrous
(R)-2-Amino-3-mercaptopropanoic acid hydrochloride
【EINECS(EC#)】
200-157-7
【Molecular Formula】
C3H8ClNO2S (Products with the same molecular formula)
【Molecular Weight】
157.61
【Inchi】
InChI=1/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1
【InChIKey】
IFQSXNOEEPCSLW-HSHFZTNMSA-N
【Canonical SMILES】
C(C(C(=O)O)N)S
【Isomers smiles】
C([C@@H](C(=O)O)N)S
【MOL File】
52-89-1.mol

Chemical and Physical Properties

【Appearance】
white solid
【Density】
g/cm3
【Melting Point】
140-142oC
【Boiling Point】
293.9 oC at 760 mmHg
【Flash Point】
131.5 oC
【Alpha】
5.5 o (C=8, 6 N HCL)
【Water】
SOLUBLE
【Solubilities】
H2O: 1 M at 20 °C, clear, colorless
【Color/Form】
Colorless crystals
White crystals
【Stability】
Stable, but light, moisture and air sensitive. Incompatible with strong oxidizing agents, some metals.
【HS Code】
29309013
【Storage temp】
Store at RT.
【Spectral properties】
Specific optical rotation: + 6.5 deg @ 25 deg C/D (5 N HCl); +13.0 deg @ 25 deg C/D (glacial acetic acid)
Specific optical rotation: +9.7 deg C (c=8 in 1M HCL) @ 25 deg C/D
MASS: NIST 63547 (NIST/EPA/MCDC Mass Spectral Database 1990 version)
IR: SADP 13419 (Sadtler Research Laboratories IR prism collection)
UV: OES 2-10 (Phillip et al; Organic Electronic Spectral Data. NT, NY: John Wiley and Sons)
1H NMR: SAD 16992 (Sadtler Research Laboratories spectral collection)
【Computed Properties】
Molecular Weight:121.15818 [g/mol]
Molecular Formula:C3H7NO2S
XLogP3:-2.5
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:2
Exact Mass:121.019749
MonoIsotopic Mass:121.019749
Topological Polar Surface Area:64.3
Heavy Atom Count:7
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:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:9

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36
【Safety】

Moderately toxic by intraperitoneal, intravenous, and possibly other routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx, SOx, and Cl?.
Safety Information of?L-Cysteine hydrochloride (CAS NO.52-89-1)
Hazard Codes:?Xi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 2?
RTECS: HA2275000
F: 3-10-23
?

【Sensitive】
Hygroscopic
【Formulations/Preparations】
...occurs naturally in the L(+) form. ... Available commercially as L(+)-cysteine hydrochloride.
【Exposure Standards and Regulations】
Cysteine used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
L-Cysteine is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.
【Specification】

Stability and Reactivity of L-Cysteine hydrochloride (CAS NO.52-89-1).
Stability:Stable under normal shipping and handling conditions.
Incompatibilities:Strong oxidizing agents, metals.
Decomposition:Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, nitrogen.
First Aid Measures:
Ingestion:If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Handling and Storage:
Storage:Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not store in metal containers. Store protected from moisture. Store protected from light and air.
Handling:Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.

【Octanol/Water Partition Coefficient】
log Kow = -2.49
【Report】

Reported in EPA TSCA Inventory.

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

Simple synthesis of racemic cysteine: V.J. Martens et al., Angew. Chem. Int. Ed. 20, 668 (1981)
Hydrolysis of protein; degradation of cystine. Found in urinary calculi
【Usage】
A nonessential amino acid in humans. Important in protein crosslinking.

Biomedical Effects and Toxicity

【Therapeutic Uses】
EXPTL USE: IN HAMSTER LUNG CELL CULTURES ADDN OF L-CYSTEINE OR VIT C TO MEDIA PROTECTS AGAINST OR REVERSES ABNORMAL GROWTH & MALIGNANT TRANSFORMATION IN AGED CONTROLS (1-2 YR OLD) OR YOUNG (3-6 MO) AFTER REPEATED EXPOSURE TO SMOKE OF TOBACCO OR MARIHUANA CIGARETTES.
EXPTL USE: L-CYSTEINE ADMIN ORALLY OR IP TO RATS PROTECTED AGAINST ACUTE TOXICITY OF METHYLMERCURY CHLORIDE, REDUCING MERCURY CONTENT IN KIDNEY & BRAIN BUT NOT IN LIVER.
... Applied as a 3% near-neutral soln to animal and human eyes in treatment of chem burns, attempting to accelerate regeneration of epithelium and impede vascularization of cornea. Some benefit, and no adverse effect is reported.
Medication (VET): Cysteine ointment (3%) has significantly inhibited vascularization of cornea after exptl burns with lactic acid in rabbits ... .
MEDICATION (VET): IN PROTEIN HYDROLYSATE MIXTURES (ORAL OR PARENTERAL). ...OF VALUE IN WOUND HEALING & IN DETOXIFICATION OF CERTAIN CHEMICALS PARTICULARLY HEAVY METALS. ADDITIVE WITH MERCAPTOETHYLAMINE IN PROTECTING DOGS AGAINST RADIATION EXPOSURES. ORAL & IV USE HELPS PREVENT LEUKOPENIA & NAUSEA /OF/...MECHLORETHAMINE THERAPY.
...IODATE CAUSES DEGENERATION...OF /EYE/ PIGMENT EPITHELIUM... ALTHOUGH IODATE IS...RELATIVELY STABLE OXIDIZING AGENT...IODATE EFFECT CAN BE COMPLETELY NEUTRALIZED BY THE REDUCING AGENT, CYSTEINE...
MEDICATION (VET): DETOXICANT, RADIOPROTECTIVE, ANTIOXIDANT

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