HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(2-Methoxyphenyl)piperazine
2-MPP · D 15157 · AKOS BBS-00003584 · Uradil impurity 18 · Urapidil Impurity 6 · TIMTEC-BB SBB003620 · RARECHEM AH CK 0126 · 2-Piperazinoanisole
Identifiers & Physical Properties
| CAS No. | 35386-24-4 |
|---|---|
| Molecular formula | C11H16N2O |
| Average molar mass | 192.26 g/mol |
| Monoisotopic mass | 192.12626313 g/mol |
| SMILES | COc1ccccc1N1CCNCC1 |
| InChIKey | VNZLQLYBRIOLFZ-UHFFFAOYSA-N |
| PubChem CID | 1346 |
| ChEMBL | CHEMBL9666 |
| ChEBI | CHEBI:104020 |
| EC No. | 252-537-7 |
| DTXSID | DTXSID40188871 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 24.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 169 |
| Drugs | DEA NFLIS-Drug Category -> Piperazines (Stimulant) |
| LogP (partition coefficient) | 1.09 |
| Collision Cross Section | 140.5 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Melting point | 35-40 °C (lit.) |
| Boiling point | 130-133 °C/0.1 mmHg (lit.) |
| Density | 1.095 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.575(lit.) |
| Flash point | >230 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)Soluble in chloroform, ethyl acetate, and methanol. Insoluble in water |
| Physical state | Liquid After Melting |
| pKa (acidity coefficient) | 8.98±0.10(Predicted) |
| Color | Clear colorless to yellow |
| Sensitivity | Air Sensitive |
| BRN | 167888 |
| InChI | InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 |
| InChIKey | VNZLQLYBRIOLFZ-UHFFFAOYSA-N |
| SMILES | N1(C2=CC=CC=C2OC)CCNCC1 |
| LogP (partition coefficient) | 1.67 |
| CAS DataBase Reference | 35386-24-4(CAS DataBase Reference) |
| FDA UNII | 81NJO1330A |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C,Xi |
| Risk statements (R) | 34-36/37/38 |
| Safety statements (S) | 26-36/37/39-45-28A-36 |
| UN transport number | UN 3263 8/PG 3 |
| Water hazard class (WGK) | 3 |
| F | 3-10 |
| Hazard Note | Irritant |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Packing group | Ⅲ |
| Customs code | 29349990 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| REACH registrations | Active |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 12.3% (7 of 57) of reports.DangerH314 (84.2%): 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 57 reports by companies from 9 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Status: Active Update: 19-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20083 |
| Hazard Classes and Categories | Skin Corr. 1B (84.2%) |
| F | 3-10 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 3263 8/PG 3 |
| Customs code | 29349990 |
| Risk statements (R) | 34-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C,Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36/37/39-45-28A-36 |
| Hazard class | 8Eye Dam. 1Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | Ⅲ |
| GHS hazard statements | H314 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| REACH registrations | Active |
| GHS precautionary statements | P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 |
Applications & Uses
Uses
A piperazine derivative and a selective antagonist at D3 receptors that influences the expression of cocaine-induced conditioned place preference (CPP).
Uses
It is used as pharmaceutical intermediate. N-alkylated 1-(2-methyoxyphenyl)piperazines markedly improved affinity and selectivity of the dopamine D3 receptor which is recognized as a potential therapeutic target for the treatment of various neurological and psychiatric disorders.
Uses
1-(2-Methoxyphenyl)piperazine can be used:To functionalize pyrazolylvinyl ketones via Aza-Michael addition reaction.To prepare cyclic amine substituted Trger′s base derivatives.To prepare functionalized bis(mercaptoimidazolyl)borates by reacting with the activated ester, [(1-methyl-2-mercaptoimidazol-5-yl)carbonyl]succinimide.