1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one
- Product Name1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one
- CAS55314-16-4
- CBNumberCB1406106
- MFC10H12N2O
- MW176.22
- EINECS611-255-8
- MDL NumberMFCD00115180
- MOL File55314-16-4.mol
Chemical Properties
| Melting point | 86-88 |
| Boiling point | 281.4±36.0 °C(Predicted) |
| Density | 1.070±0.06 g/cm3(Predicted) |
| vapor pressure | 0.049Pa at 20℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Soluble in chloroform and dichloromethane. |
| form | powder to crystal |
| pka | 6.19±0.70(Predicted) |
| color | Light yellow to Brown |
| InChI | InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3 |
| InChIKey | MZLRFUCMBQWLNV-FNORWQNLSA-N |
| SMILES | C(C1=CC=CN=C1)(=O)C=CN(C)C |
| LogP | 0.26 at 20℃ and pH7.2 |
| Surface tension | 71.8mN/m at 1.008g/L and 20℃ |
| CAS DataBase Reference | 55314-16-4(CAS DataBase Reference) |
| FDA UNII | MD6L0C82BN |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| Hazard Codes | Xi,Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 26-36/37/39 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29333990 | |||||||||
| NFPA 704: |
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