HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methylpiperazine
MP · 2MPRZ · 2-methyl-piperazin · 2-METHYLPIPERAZINE · Piperazine,2-methyl- · 2-Methylpiperazine>2-Methylpiperazine,98% · 2-Methylpiperazine ,99% · 2-Methylpiperazine, 97+%
Identifiers & Physical Properties
| CAS No. | 109-07-9 |
|---|---|
| Molecular formula | C5H12N2 |
| Average molar mass | 100.16 g/mol |
| Monoisotopic mass | 100.10004838 g/mol |
| SMILES | CC1CNCCN1 |
| InChIKey | JOMNTHCQHJPVAZ-UHFFFAOYSA-N |
| PubChem CID | 66057 |
| EC No. | 203-644-2 |
| DTXSID | DTXSID1021900 |
Chemical & Physical Properties
| XLogP | -0.4 |
|---|---|
| Topological polar surface area | 24.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 54 |
| Melting point | 61-63 °C (lit.) |
| Boiling point | 155 °C/763 mmHg (lit.) |
| Density | 0.817 g/cm |
| Refractive index | 1.4378 (estimate) |
| Flash point | 149 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | 435g/l78 g/100 mL (25 ºC) |
| pKa (acidity coefficient) | pK1:5.62(+2)pK2:9.60(+1) (25°C) |
| Physical state | Crystalline Powder, Crystals and/or Chunks |
| Color | White to yellow |
| pH | 11-12 (50g/l, H2O) |
| Sensitivity | Air Sensitive & Hygroscopic |
| BRN | 383566 |
| Henry's law constant | 5.0×103 mol/(m3Pa) at 25℃, Nguyen (2013) |
| InChI | 1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3 |
| InChIKey | JOMNTHCQHJPVAZ-UHFFFAOYSA-N |
| SMILES | CC1CNCCN1 |
| CAS DataBase Reference | 109-07-9(CAS DataBase Reference) |
| FDA UNII | D0LWN1061P |
| NIST Chemistry Reference | Piperazine, 2-methyl-(109-07-9) |
| EPA Substance Registry System | Piperazine, 2-methyl- (109-07-9) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS05 |
| Signal word | Danger |
| GHS hazard statements | H228-H314 |
| GHS precautionary statements | P210-P240-P260-P280-P303+P361+P353-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | F,Xi |
| Risk statements (R) | 11-36/37/38 |
| Safety statements (S) | 16-26-36/37/39-36 |
| UN transport number | UN 1325 4.1/PG 2 |
| Water hazard class (WGK) | 2 |
| RTECS number | TM1225020 |
| F | 10 |
| TSCA inventory status | TSCA listed |
| Hazard class | 4.1Eye Dam. 1Flam. Sol. 1Skin Corr. 1B |
| Packing group | III |
| Customs code | 29339900 |
| Storage class | 4.1B - Flammable solid hazardous materials |
| REACH registrations | Active |
| Limited quantities | 1.0 Kg (2.2 lbs) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH228 (99.4%): Flammable solid [Danger Flammable solids]P210, P240, P241, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 10-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19024 |
| Hazard Classes and Categories | Flam. Sol. 1 (99.4%) |
| F | 10 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| RTECS number | TM1225020 |
| UN transport number | UN 1325 4.1/PG 2 |
| Customs code | 29339900 |
| Risk statements (R) | 11-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS05 |
| Hazard symbols | F,Xi |
| Safety statements (S) | 16-26-36/37/39-36 |
| Hazard class | 4.1Eye Dam. 1Flam. Sol. 1Skin Corr. 1B |
| Storage class | 4.1B - Flammable solid hazardous materials |
| Packing group | III |
| GHS hazard statements | H228-H314 |
| Limited quantities | 1.0 Kg (2.2 lbs) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| REACH registrations | Active |
| GHS precautionary statements | P210-P240-P260-P280-P303+P361+P353-P305+P351+P338 |
Applications & Uses
Uses
2-Methylpiperazine is used as a reagent in the design, synthesis and biological evaluation of diaminoquinazolines as b-catenine/Tcell transcription factor 4 (Tcf4) pathway inhibitor.