HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2737021Generated: October 26, 2026
6-Morpholinonicotinonitrile
6-Morpholinonicotinonitrile · 6-Morpholinopyridine-3-carbonitrile · 6-(Morpholin-4-yl)nicotinonitrile 97% · 6-(4-morpholinyl)-3-pyridinecarbonitrile · 3-Pyridinecarbonitrile, 6-(4-morpholinyl)-
https://huagongshe.com/en/chemical/2737021
Identifiers & Physical Properties
| CAS No. | 259683-28-8 |
|---|
| Molecular formula | C10H11N3O |
|---|
| Average molar mass | 189.21 g/mol |
|---|
| Monoisotopic mass | 189.09021197 g/mol |
|---|
| SMILES | N#Cc1ccc(N2CCOCC2)nc1 |
|---|
| InChIKey | MWMUIALBOFAVDT-UHFFFAOYSA-N |
|---|
| PubChem CID | 2737021 |
|---|
| ChEMBL | CHEMBL1869148 |
|---|
| EC No. | 129-811-9 |
|---|
| DTXSID | DTXSID50371777 |
|---|
Chemical & Physical Properties
| XLogP | 0.7 |
|---|
| Topological polar surface area | 49.2 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 4 |
|---|
| Rotatable bonds | 1 |
|---|
| Heavy atoms | 14 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 229 |
|---|
| Solubility | >28.4 [ug/mL] (The mean of the results at pH 7.4) |
|---|
| Boiling point | 391.3±42.0 °C(Predicted) |
|---|
| Density | 1.23 |
|---|
| Storage conditions | 2-8°C |
|---|
| pKa (acidity coefficient) | 2.38±0.10(Predicted) |
|---|
| Physical state | solid |
|---|
| Color | Light brown |
|---|
| InChI | InChI=1S/C10H11N3O/c11-7-9-1-2-10(12-8-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2 |
|---|
| InChIKey | MWMUIALBOFAVDT-UHFFFAOYSA-N |
|---|
| SMILES | C1=NC(N2CCOCC2)=CC=C1C#N |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
| Customs code | 2933399990 |
|---|
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Customs code | 2933399990 |
|---|
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|