HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 802276Generated: October 23, 2026
5-(Dimethylamino)furan-2-carbaldehyde
TIMTEC-BB SBB010276 · 5-dimethylaminofurfural · 5-(Dimethylamino)-2-furaldehyde · 5-DIMETHYLAMINO-FURAN-2-CARBALDEHYDE · 5-(dimethylamino)-2-furancarboxaldehyde · 2-Furancarboxaldehyde, 5-(dimethylamino)-
https://huagongshe.com/en/chemical/802276
Identifiers & Physical Properties
| CAS No. | 3680-93-1 |
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| Molecular formula | C7H9NO2 |
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| Average molar mass | 139.15 g/mol |
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| Monoisotopic mass | 139.06332853 g/mol |
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| SMILES | CN(C)c1ccc(C=O)o1 |
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| InChIKey | ZLQGITSKRNWIOT-UHFFFAOYSA-N |
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| PubChem CID | 802276 |
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| ChEMBL | CHEMBL1535009 |
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| DTXSID | DTXSID10355472 |
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Chemical & Physical Properties
| XLogP | 1.2 |
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| Topological polar surface area | 33.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 125 |
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| Melting point | 74-75 °C |
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| Boiling point | 248.0±25.0 °C(Predicted) |
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| Density | 1.141±0.06 g/cm3(Predicted) |
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| Storage conditions | -20°C, sealed storage, away from moisture |
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| pKa (acidity coefficient) | 1.01±0.30(Predicted) |
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| Physical state | solid |
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| Appearance | Pale purple to purple Solid |
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| InChI | 1S/C7H9NO2/c1-8(2)7-4-3-6(5-9)10-7/h3-5H,1-2H3 |
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| InChIKey | ZLQGITSKRNWIOT-UHFFFAOYSA-N |
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| SMILES | CN(C)c1ccc(C=O)o1 |
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| UNSPSC Code | 12352200 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H317 |
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| GHS precautionary statements | P261-P264-P272-P280-P301+P312-P302+P352 |
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| Hazard symbols | Xi,Xn |
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| Risk statements (R) | 22-43 |
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| Safety statements (S) | 36/37 |
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| Water hazard class (WGK) | WGK 3 |
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| Hazard class | IRRITANTAcute Tox. 4 OralSkin Sens. 1 |
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| Storage class | 11 - Combustible Solids |
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Safety & Regulations
| Water hazard class (WGK) | WGK 3 |
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| Risk statements (R) | 22-43 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi,Xn |
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| Safety statements (S) | 36/37 |
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| Hazard class | IRRITANTAcute Tox. 4 OralSkin Sens. 1 |
|---|
| Storage class | 11 - Combustible Solids |
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| GHS hazard statements | H302-H317 |
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| GHS precautionary statements | P261-P264-P272-P280-P301+P312-P302+P352 |
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