HuagongsheHuagongshe Chemistry Print Report · For research reference only
Acetylcysteamine
N-ACETYLCYSTEAMINE · Acetylcysteamine · n-acetylcysteamin · N-Acetyl cysteamin · cysteamine,n-acetyl · Cysteamine, N-acetyl- · 2-Acetamidoethanethiol · 2-(acetylamino)-ethanethio
Identifiers & Physical Properties
| CAS No. | 1190-73-4 |
|---|---|
| Molecular formula | C4H9NOS |
| Average molar mass | 119.19 g/mol |
| Monoisotopic mass | 119.04048491 g/mol |
| SMILES | CC(=O)NCCS |
| InChIKey | AXFZADXWLMXITO-UHFFFAOYSA-N |
| PubChem CID | 14484 |
| ChEBI | CHEBI:74410 |
| EC No. | 683-054-3 |
| DTXSID | DTXSID90152289 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 30.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 64.7 |
| Melting point | 6-7 °C (lit.) |
| Boiling point | 138-140 °C/7 mmHg (lit.) |
| Density | 1.121 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.511(lit.) |
| Flash point | >230 °F |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | EtherDichloromethaneEthyl AcetateMethanol |
| Physical state | liquid |
| pKa (acidity coefficient) | 9.92±0.10(Predicted) |
| Color | Clear |
| InChI | 1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6) |
| InChIKey | AXFZADXWLMXITO-UHFFFAOYSA-N |
| SMILES | CC(=O)NCCS |
| EWG's Food Scores | 1 |
| FDA UNII | NSH3F3JX85 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| RTECS number | AC4620000 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | AC4620000 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
N-Acetylcysteamine is an intermediate used in the synthesis of (E,E)-Piperic Acid S-[2-(Acetylamino)ethyl] Ester (P481490), which is an analog of (E,E)-Piperic Acid (P481530).