Basic information
- Name:
N-Acetyl-cysteine
- CAS No.:
616-91-1
- Molecular Structure:
- Formula:
- C5H9NO3S
- Molecular Weight:
- 163.21
- Deleted CAS:
- 7696-05-1
- Synonyms:
- Sodium 2-acetamido-3-mercaptopropionate;Mucolytikum Lappe;Acetein;Fluatox;(2R)-2-acetamido-3-sulfanyl-propanoic acid;Fabrol;Fluibiotic;Flumicil;Airbron;Mucosolvin;Tixair;Fluimucetin;N- Acetyl -L- Cysteine;Brunac;Ac-Cys;N-Acetyl Cysteine;Acetyl-L-cysteine;(R)-N-Acetylcysteine;Mercapturic acid, (R)-;L-Acetylcysteine;Mucomyst (TN);Mucofilin;(2R)-2-acetamido-3-sulfanyl-propanoate;N-Acetyl-L-Cysteine(NAC);Mucomyst;L-Cysteine, N-acetyl-;N-Acetyl-L-cysteine;N-Acetylcysteine;Flumucetin;Mucolyticum;Respaire;Mercapturic acid;Acetylcysteine (JAN/USP);L-Cysteine,N-acetyl-;Sodium N-acetyl-L-cysteinate;Cysteine, N-acetyl-, L-;Broncholysin;Parvolex;Broncholysin (mucolytic);Fluimucil;L-Cysteine, N-acetyl-,;
- EINECS:
- 210-498-3
- Density:
- 1.295 g/cm3
- Melting Point:
- 106-108 °C
- Boiling Point:
- 407.678 °C at 760 mmHg
- Flash Point:
- 200.357 °C
- Appearance:
- White crystalline powder
- Risk Codes:
- 36/37/38
- Safety Description:
- 22-24/25 Details
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Chemistry
Molecular Structure of N-Acetyl-cysteine (CAS NO.616-91-1):
IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid
Molecular formula: C5H9NO3S
Molar mass: 163.19
H bond acceptors: 4
\H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 71.91 Å2
Index of Refraction: 1.518
Molar Refractivity: 38.25 cm3
Molar Volume: 126 cm3
Surface Tension: 49.9 dyne/cm
Density: 1.294 g/cm3
Flash Point: 200.4 °C
Enthalpy of Vaporization: 72.37 kJ/mol
Boiling Point: 407.7 °C at 760 mmHg
Vapour Pressure: 8.68E-08 mmHg at 25°C
EINECS: 210-498-3
Melting point: 106-108 °C
alpha: -35.1 oC (c=2,H2O)
Storage temp: 2-8°C
Solubility: H2O: 100 mg/mL with heating
Appearance: White crystalline powder
Product Categories: Phenylalanine analogs and other aromatic alpha amino acids; Amino; Amino Acids; Cysteine [Cys, C];Ac-Amino Acids; Amino Acids (N-Protected); Antioxidant; Biochemistry; Nutritional Supplements; Pharmaceutical Intermediates; N-Acetyl-Amino acid series; Miscellaneous Compounds
Toxicity Data With Reference
| 1. | mma-sat 8 µg/plate | CRNGDP Carcinogenesis. 7 (1986),431. | ||
| 2. | orl-rat LD50:5050 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 18 (1971),185. | ||
| 3. | ivn-rat LD50:1140 mg/kg | EJRDD2 European Journal of Respiratory Diseases. 61 (Suppl 111),(1980),45. | ||
| 4. | orl-mus LD50:7888 mg/kg | THEWA6 Therapiewoche. 30 (1980),1926. | ||
| 5. | ipr-mus LD50:400 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 . | ||
| 6. | ivn-mus LD50:3800 mg/kg | JMCMAR Journal of Medicinal Chemistry. 10 (1967),1172. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intraperitoneal route. Moderately toxic by other routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-24/25
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
F 10-23: Keep under argon. Sensitive to air
WGK Germany: 3
Specification
N-Acetyl-cysteine , with CAS number of 616-91-1, can be called (2R)-2-(acetylamino)-3-sulfanylpropanoic acid ; (2R)-2-Acetamido-3-sulfanylpropanoic acid ; 2-Acetylamino-3-mercapto-propionate ; Acetylcysteinum ; Acetilcisteina . It is a white crystalline powder. N-Acetyl-cysteine (CAS NO.616-91-1) is a pharmaceutical drug used mainly as a mucolytic agent and in the management of paracetamol (acetaminophen) overdose. It is also used post-operatively, as a diagnostic aid, and in tracheotomy care. Oral N-Acetyl-cysteine is used for the prevention of radiocontrast-induced nephropathy. Besides can be used in Petroff's method i.e. liquefaction and decontamination of sputum, in preparation for diagnosis of tuberculosis.