3-Piperidinol, 1-methyl-
1-METHYLPIPERIDIN-3-OL · NM3PPOL · 1-methyl-3-ol · 1-methyl-3-piperidino · N-METHYL-3-PIPERIDINOL · 1-METHYL-3-PIPERIDINOL · N-Methyl-3-piperidinol 98% · 3-Hydroxy-l-methylpiperidine
Identifiers & Physical Properties
| CAS No. | 3554-74-3 |
|---|---|
| Molecular formula | C6H13NO |
| Average molar mass | 115.17 g/mol |
| Monoisotopic mass | 115.09971404 g/mol |
| SMILES | CN1CCCC(O)C1 |
| InChIKey | UKANCZCEGQDKGF-UHFFFAOYSA-N |
| PubChem CID | 98016 |
| ChEMBL | CHEMBL21531 |
| EC No. | 222-609-2 |
| DTXSID | DTXSID90883920 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 23.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 74.9 |
| Boiling point | 76-78 °C11 mm Hg(lit.) |
| Density | 0.999 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.475 |
| Flash point | 158 °F |
| pKa (acidity coefficient) | 14.95±0.20(Predicted) |
| Physical state | liquid |
| Color | Clear, orange |
| Solubility | Fully misicible in water. |
| BRN | 103017 |
| InChI | InChI=1S/C6H13NO/c1-7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3 |
| InChIKey | UKANCZCEGQDKGF-UHFFFAOYSA-N |
| SMILES | N1(C)CCCC(O)C1 |
| CAS DataBase Reference | 3554-74-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Piperidinol, 1-methyl-(3554-74-3) |
| EPA Substance Registry System | 3-Piperidinol, 1-methyl- (3554-74-3) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335-H227 |
| GHS precautionary statements | P261-P305+P351+P338-P210e-P280a-P405-P501a |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38-6/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Customs code | 29333990 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29333990 |
| Risk statements (R) | 36/37/38-6/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335-H227 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P305+P351+P338-P210e-P280a-P405-P501a |
Applications & Uses
Uses
Reactant for:• ;Optimization of Novobiocin scaffold to produce antitumor agents1• ;Formation of carbamates and N-alkylimidazoles2Reactant for synthesis of:• ;Pyridine derivatives as CDK5 inhibitors3• ;Phenylcarbamate derivatives as ligands for nicotinic acetylcholine receptors4• ;Amino phosphite ligands5• ;Mexiletine enantiomers by nucleophilic aromatic substitution6
Uses
Reactant for Optimization of Novobiocin scaffold to produce antitumor agents, Formation of carbamates and N-alkylimidazoles. Reactant for synthesis of Pyridine derivatives as CDK5 inhibitors Phenylcarbamate derivatives as ligands for nicotinic acetylcholine receptors, Amino phosphite ligands, Mexiletine enantiomers by nucleophilic aromatic substitution.
Uses
Reactant for:Optimization of Novobiocin scaffold to produce antitumor agentsFormation of carbamates and N-alkylimidazolesReactant for synthesis of:Pyridine derivatives as CDK5 inhibitorsPhenylcarbamate derivatives as ligands for nicotinic acetylcholine receptorsAmino phosphite ligandsMexiletine enantiomers by nucleophilic aromatic substitution