HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3846292Generated: October 29, 2026
3-Amino-4-(ethylamino)benzonitrile
Benzonitrile, 3-amino-4-(ethylamino)- · Benzonitrile, 3-amino-4-(ethylamino)- (9CI)
https://huagongshe.com/en/chemical/3846292
Identifiers & Physical Properties
| CAS No. | 143174-02-1 |
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| Molecular formula | C9H11N3 |
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| Average molar mass | 161.2 g/mol |
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| Monoisotopic mass | 161.09529735 g/mol |
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| SMILES | CCNc1ccc(C#N)cc1N |
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| InChIKey | WHLUSMYQBHWGSV-UHFFFAOYSA-N |
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| PubChem CID | 3846292 |
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| EC No. | 846-878-6 |
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| DTXSID | DTXSID50397235 |
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Chemical & Physical Properties
| XLogP | 1.3 |
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| Topological polar surface area | 61.8 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 181 |
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| Boiling point | 354.3±32.0 °C(Predicted) |
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| Density | 1.12±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 4.57±0.11(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H332-H315-H302-H312-H335-H319 |
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| GHS precautionary statements | P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H332-H315-H302-H312-H335-H319 |
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| GHS precautionary statements | P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501 |
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