HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Acetyl-L-tyrosine
AC-TYR-OH · N-Acetyltyrosine · ACETYL-L-TYROSINE · ACETYLTYROSINE · N-ACEYL-L-TYROSINE · n-acetyl-l-tyrosin · -tyrosine · N-Acetyl-Thiazolidine-4-carboxylic acid amino acid
Identifiers & Physical Properties
| CAS No. | 537-55-3 |
|---|---|
| Molecular formula | C11H13NO4 |
| Average molar mass | 223.22 g/mol |
| Monoisotopic mass | 223.0844579 g/mol |
| SMILES | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| InChIKey | CAHKINHBCWCHCF-JTQLQIEISA-N |
| PubChem CID | 68310 |
| ChEMBL | CHEMBL65543 |
| ChEBI | CHEBI:21563 |
| EC No. | 208-671-3 |
| DTXSID | DTXSID7046045 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 86.6 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 259 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Cosmetics | Cosmetic ingredients (Acetyl Tyrosine) -> CIR (Cosmetic Ingredient Review)Tanning |
| LogP (partition coefficient) | 1.320 |
| Solubility | 297 mg/mLH2O: soluble25mg/mLSoluble in water (25 mg/ml), and ethanol. |
| Boiling point | 530.00 to 533.00 °C. @ 760.00 mm Hg364.51°C (rough estimate) |
| Melting point | 149-152149 - 152 °C149-152 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 154.5 Ų [M+Na]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| alpha | 47.5 º (c=2, water) |
| Density | 1.2446 (rough estimate) |
| Refractive index | 1.4960 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Crystalline |
| pKa (acidity coefficient) | 3.15±0.10(Predicted) |
| Color | White to Off-White |
| BRN | 2697172 |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Major applications | pharmaceutical (small molecule) |
| Cosmetics Ingredients Functions | SKIN CONDITIONINGTANNING |
| Cosmetic Ingredient Review (CIR) | N-Acetyl-L-tyrosine (537-55-3) |
| InChI | 1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 |
| InChIKey | CAHKINHBCWCHCF-JTQLQIEISA-N |
| SMILES | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |
| LogP (partition coefficient) | 1.320 |
| CAS DataBase Reference | 537-55-3(CAS DataBase Reference) |
| FDA UNII | DA8G610ZO5 |
| NIST Chemistry Reference | N-acetyl-Tyr(537-55-3) |
| EPA Substance Registry System | N-Acetyl-L-tyrosine (537-55-3) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H318 |
| GHS precautionary statements | P280i-P310a-P280-P305+P351+P338+P310-P305+P351+P338 |
| Hazard symbols | Xi |
| Risk statements (R) | 41-36/37/38 |
| Safety statements (S) | 26-39-36 |
| Water hazard class (WGK) | 3 |
| F | 10 |
| TSCA inventory status | TSCA listed |
| Customs code | 29242995 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 15.5% (61 of 394) of reports.DangerH318 (84.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 394 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: L-Tyrosine, N-acetyl-L-Tyrosine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Other safety information | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Eye Dam. 1 (84.3%) |
| Toxicity summary | The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl TyrosineSafe for use in cosmetics, with qualifications |
| F | 10 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29242995 |
| Risk statements (R) | 41-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-39-36 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H318 |
| GHS precautionary statements | P280i-P310a-P280-P305+P351+P338+P310-P305+P351+P338 |
Applications & Uses
Uses
N-Acetyl-L-tyrosine is involved in catecholamine production. It can be used as a cell culture media component in the commercial biomanufacture of therapeutic recombinant proteins and monoclonal antibodies.