HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11447232Generated: November 1, 2026
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
3-Amino-2-(4-methoxyphenyl)amino-pyridine · 2,3-Pyridinediamine, N2-(4-methoxyphenyl)-
https://huagongshe.com/en/chemical/11447232
Identifiers & Physical Properties
| CAS No. | 41010-68-8 |
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| Molecular formula | C12H13N3O |
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| Average molar mass | 215.25 g/mol |
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| Monoisotopic mass | 215.10586205 g/mol |
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| SMILES | COc1ccc(Nc2ncccc2N)cc1 |
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| InChIKey | GAKVHRACPVAOAC-UHFFFAOYSA-N |
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| PubChem CID | 11447232 |
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| ChEMBL | CHEMBL3637811 |
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| EC No. | 178-965-3 |
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| DTXSID | DTXSID60466148 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 60.2 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 204 |
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| Boiling point | 389.8±37.0 °C(Predicted) |
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| Density | 1.230±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 6.08±0.10(Predicted) |
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| Hazard class | IRRITANT |
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Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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| Hazard class | IRRITANT |
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