HuagongsheHuagongshe Chemistry Print Report · For research reference only
DL-Phenylalaninol
PHENYLALANINOL · AKOS 91608 · AKOS BB-8726 · DL-PHENYLALANINOL · DL-Phenylalaninol>Benzenepropanol, b-aMino- · DL-Phenylalaninol, GC 98% · Benzenepropanol, β-amino- · DL-Phenylalaninol:DL-Phe-OL

Identifiers & Physical Properties
| CAS No. | 16088-07-6 |
|---|---|
| Molecular formula | C9H13NO |
| Average molar mass | 151.21 g/mol |
| Monoisotopic mass | 151.09971404 g/mol |
| SMILES | NC(CO)Cc1ccccc1 |
| InChIKey | STVVMTBJNDTZBF-UHFFFAOYSA-N |
| PubChem CID | 76652 |
| ChEMBL | CHEMBL21676 |
| EC No. | 605-234-2 |
| DTXSID | DTXSID90863121 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 46.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 99.7 |
| Melting point | 64-72 °C |
| Boiling point | 130°C/3mmHg(lit.) |
| Density | 1.077±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| pKa (acidity coefficient) | 12.85±0.10(Predicted) |
| Physical state | Crystalline Powder and Chunks |
| Color | White to light yellow |
| CAS DataBase Reference | 16088-07-6 |
| FDA UNII | C8L8LX87R1 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501 |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 45-36/37/39-26 |
| UN transport number | 3259 |
| Hazard class | 8 |
| Packing group | Ⅲ |
| Customs code | 29221990 |
Safety & Regulations
| GHS classification | DangerH314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (95%) |
| UN transport number | 3259 |
| Customs code | 29221990 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 45-36/37/39-26 |
| Hazard class | 8 |
| Packing group | Ⅲ |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501 |
Applications & Uses
Uses
DL-Phenylalaninol may inhibit ulcer formation in rats, mainly by central inhibition of gastric acid secretion.