HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2-Aminopyridin-4-yl)methanol
2-aMinopyridin-4-Methanol · 2-AMINOPYRIDINE-4-METHANOL · 2-AMINO-4-PYRIDINEMETHANOL · 2-Amino-4-pyridinylmethanol · 4-Pyridinemethanol, 2-amino- · 2-Aminopyridine-4-methanol,97% · 2-Amino-4-hydroxymethylpyridine · (2-Amino-pyridin-4-yl)-methanol
Identifiers & Physical Properties
| CAS No. | 105250-17-7 |
|---|---|
| Molecular formula | C6H8N2O |
| Average molar mass | 124.14 g/mol |
| Monoisotopic mass | 124.06366288 g/mol |
| SMILES | Nc1cc(CO)ccn1 |
| InChIKey | ZRJJXXDQIQFZBW-UHFFFAOYSA-N |
| PubChem CID | 1515296 |
| ChEMBL | CHEMBL4557698 |
| EC No. | 641-277-3 |
| DTXSID | DTXSID00363945 |
Chemical & Physical Properties
| XLogP | -0.7 |
|---|---|
| Topological polar surface area | 59.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 87.1 |
| Melting point | 43-44°C |
| Boiling point | 329.5±27.0 °C(Predicted) |
| Density | 1.257±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (acidity coefficient) | 13.37±0.10(Predicted) |
| Physical state | Crystalline Powder |
| Color | White to yellow |
| Solubility | Soluble in water. |
| Sensitivity | Air Sensitive |
| BRN | 8760550 |
| InChI | InChI=1S/C6H8N2O/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2,(H2,7,8) |
| InChIKey | ZRJJXXDQIQFZBW-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=CC(CO)=C1 |
| CAS DataBase Reference | 105250-17-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-22 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 2933399990 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (83.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (83.7%) |
| Water hazard class (WGK) | 3 |
| Customs code | 2933399990 |
| Risk statements (R) | 36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Aminopyridine-4-methanol is used as pharmaceutical intermediate.