HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pargyline
N-benzyl-N-Methylprop-2-yn-1-aMine · MO 911 · A 19120 · Eudatin · Eutonyl · Supirdyl · Pargylin · PARGYLINE
Identifiers & Physical Properties
| CAS No. | 555-57-7 |
|---|---|
| Molecular formula | C11H13N |
| Average molar mass | 159.23 g/mol |
| Monoisotopic mass | 159.10479942 g/mol |
| SMILES | C#CCN(C)Cc1ccccc1 |
| InChIKey | DPWPWRLQFGFJFI-UHFFFAOYSA-N |
| PubChem CID | 4688 |
| ChEMBL | CHEMBL673 |
| ChEBI | CHEBI:7930 |
| EC No. | 209-101-6 |
| DTXSID | DTXSID3023423 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 3.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 159 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Solubility | 9.98e-02 g/LSoluble in DMSO |
| Physical Description | Solid |
| Collision Cross Section | 133.56 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Melting point | 15-20 °C |
| Boiling point | 86-88 °C4 mm Hg(lit.) |
| Density | 0.944 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.522(lit.) |
| Flash point | 183 °F |
| Storage conditions | Store at -20°C |
| Physical state | Liquid |
| pKa (acidity coefficient) | pKa 6.9 (Uncertain) |
| Color | Clear yellow |
| Merck | 14,7038 |
| InChI | 1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3 |
| InChIKey | DPWPWRLQFGFJFI-UHFFFAOYSA-N |
| SMILES | CN(CC#C)Cc1ccccc1 |
| EWG's Food Scores | 1 |
| FDA UNII | 9MV14S8G3E |
| ATC code | C02KC01 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301+H311+H331-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | T |
| Risk statements (R) | 23/24/25-36/37/38-22 |
| Safety statements (S) | 26-36/37/39-45-23 |
| UN transport number | UN 2810 6.1/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | DP6475000 |
| Hazard class | 6.1(b)Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29214900 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)pargylineDILI NegativeDOI:10.1016/j.drudis.2019.09.022 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | DP6475000 |
| UN transport number | UN 2810 6.1/PG 3 |
| Customs code | 29214900 |
| Risk statements (R) | 23/24/25-36/37/38-22 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | T |
| Safety statements (S) | 26-36/37/39-45-23 |
| Hazard class | 6.1(b)Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H301+H311+H331-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338 |
Applications & Uses
Uses
analgesic