HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Aminopyridine-3-methanol
RARECHEM AL BD 1386 · 4-AMINOPYRIDINE-3-METHANOL · 3-AMINO-4-PYRIDINE METHANOL · 4-AMINO-3-PYRIDINE METHANOL · 3-Pyridinemethanol, 4-amino- · 4-Aminopyridine-3-methanol ,97% · (4-Amino-pyridin-3-yl)-methanol · 4-AMINO-3-HYDROXYMETHYLPYRIDINE
Identifiers & Physical Properties
| CAS No. | 138116-34-4 |
|---|---|
| Molecular formula | C6H8N2O |
| Average molar mass | 124.14 g/mol |
| Monoisotopic mass | 124.06366288 g/mol |
| SMILES | Nc1ccncc1CO |
| InChIKey | WNBVEYMTVDMSFZ-UHFFFAOYSA-N |
| PubChem CID | 10796739 |
| ChEBI | CHEBI:149772 |
| EC No. | 681-133-7 |
| DTXSID | DTXSID10444916 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| 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 | 167-169℃ |
| Boiling point | 367.2±27.0 °C(Predicted) |
| Density | 1.257±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Solubility | DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. |
| pKa (acidity coefficient) | 13.54±0.10(Predicted) |
| Physical state | Solid |
| Color | Pale Brown |
| Sensitivity | Air Sensitive |
| Stability | Air Sensitive |
| InChI | 1S/C6H8N2O/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2,(H2,7,8) |
| InChIKey | WNBVEYMTVDMSFZ-UHFFFAOYSA-N |
| SMILES | Nc1ccncc1CO |
| UNSPSC Code | 12352200 |
| GHS pictogram | GHS05,GHS06,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H300-H311+H331-H314-H411 |
| GHS precautionary statements | P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Hazard symbols | Xi,T+ |
| Risk statements (R) | 28-36/37/38 |
| Safety statements (S) | 26-36/37/39-45-37 |
| UN transport number | UN 2811 6.1 / PGII |
| Water hazard class (WGK) | 3 |
| RTECS number | US1750000 |
| Hazard class | IRRITANTAcute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Chronic 2Eye Dam. 1Skin Corr. 1B |
| Customs code | 29333990 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Safety & Regulations
| GHS classification | DangerH300 (16.7%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (16.7%) |
| Water hazard class (WGK) | 3 |
| RTECS number | US1750000 |
| UN transport number | UN 2811 6.1 / PGII |
| Customs code | 29333990 |
| Risk statements (R) | 28-36/37/38 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06,GHS09 |
| Hazard symbols | Xi,T+ |
| Safety statements (S) | 26-36/37/39-45-37 |
| Hazard class | 6.1Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Chronic 2Eye Dam. 1Skin Corr. 1B |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| GHS hazard statements | H300-H311+H331-H314-H411 |
| GHS precautionary statements | P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
Applications & Uses
Uses
4-Amino-3-pyridinemethanol is used as an organic chemical synthesis intermediate.