HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178635541Generated: November 1, 2026
2-[4-(Aminomethyl)piperidin-1-yl]nicotinonitrile
2-[4-(Aminomethyl)piperidin-1-yl]nicotinonitrile · 2-[4-(aminomethyl)piperidin-1-yl]pyridine-3-carbonitrile · 3-Pyridinecarbonitrile, 2-[4-(aminomethyl)-1-piperidinyl]-
https://huagongshe.com/en/chemical/178635541
Identifiers & Physical Properties
| CAS No. | 1239727-91-3 |
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| Molecular formula | C12H16N4 |
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| Average molar mass | 216.28 g/mol |
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| Monoisotopic mass | 216.13749653 g/mol |
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| SMILES | N#Cc1cccnc1N1CCC(CN)CC1 |
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| InChIKey | YBQRQUYZZBTVAU-UHFFFAOYSA-N |
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| PubChem CID | 61787722 |
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Chemical & Physical Properties
| XLogP | 0.8 |
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| Topological polar surface area | 65.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 261 |
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| Boiling point | 404.4±30.0 °C(Predicted) |
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| Density | 1.17±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 10.13±0.29(Predicted) |
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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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![2-[4-(Aminomethyl)piperidin-1-yl]nicotinonitrile molecular structure](/img/chemical/178635541.png)