616-91-1
Product Name:
N-Acetyl-L-cysteine
Formula:
C5H9NO3S
Synonyms:
N-Acetyl-L-cysteine;NAC;ACAC;2-Acetamido-3-mercaptopropionic acid;ACACA
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from water |
| Odor | SLIGHT ACETIC ODOR |
| Taste | CHARACTERISTIC SOUR TASTE |
| Melting Point | 109-110 |
| Solubility | >24.5 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 1.1X10-5 mm Hg at 25 °C /Estimated/ |
| LogP | log Kow = -0.66 /Estimated/ |
| Henry's Law Constant | Henry's Law constant = 1.7X10-13 atm-cu m/mole at 25 °C /Estimated/ |
| Stability/Shelf Life | Stable in ordinary light; stable at temp up to 120 °C; nonhygroscopic (oxidizes in moist air) |
| Optical Rotation | Specific optical rotation: +5 deg at 20 °C (concn = 3 g/100 mL water) |
| pH | 2 TO 2.75 (1 IN 100 ML) |
| Dissociation Constants | 9.52 (at 25 °C) |
| Collision Cross Section | 140.9 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Kovats Retention Index | 1547 1547 |
| Other Experimental Properties | It is stable in ordinary light, nonhygroscopic (oxidizes in moist air), and stable at temperatures up to 120 °C |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 163.20 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 163.03031432 g/mol |
| Monoisotopic Mass | 163.03031432 g/mol |
| Topological Polar Surface Area | 67.4 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 148 |
| 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 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
N-acetyl-L-cysteine is an N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. It has a role as an antiinfective agent, an antioxidant, an antiviral drug, an antidote to paracetamol poisoning, a vulnerary, a mucolytic, a human metabolite, a radical scavenger, a ferroptosis inhibitor and a geroprotector. It is a L-cysteine derivative, an acetylcysteine and a N-acetyl-L-amino acid. It is a conjugate acid of a N-acetyl-L-cysteinate.