HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19081118Generated: October 27, 2026
5,6,7,8-Tetrahydroisoquinolin-1(2H)-one
5,6,7,8-tetrahydro-1-isoquinolinol · 5,6,7,8-tetrahydroisoquinolin-1-ol · 5,6,7,8-Tetrahydroisoquinolin-1(2H)-one · 1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-
https://huagongshe.com/en/chemical/19081118
Identifiers & Physical Properties
| CAS No. | 26345-15-3 |
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| Molecular formula | C9H11NO |
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| Average molar mass | 149.19 g/mol |
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| Monoisotopic mass | 149.08406397 g/mol |
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| SMILES | O=c1[nH]ccc2c1CCCC2 |
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| InChIKey | BSSAYGWMFGXIPF-UHFFFAOYSA-N |
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| PubChem CID | 19081118 |
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| DTXSID | DTXSID80597887 |
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Chemical & Physical Properties
| XLogP | 1.1 |
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| Topological polar surface area | 29.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 250 |
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| Melting point | 202-203 °C(Solv: ethyl ether (60-29-7)ligroine (8032-32-4)) |
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| Boiling point | 402.4±18.0 °C(Predicted) |
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| Density | 1.13±0.1 g/cm3(Predicted) |
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| Storage conditions | Store at room temperature |
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| pKa (acidity coefficient) | 13.13±0.20(Predicted) |
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| Appearance | White to off-white Solid |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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