HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3694021Generated: November 3, 2026
1,3-Bis(2,4-dimethoxyphenyl)urea
Pygmaniline B · Pygmaniline B, 10 mM in DMSO · 1,3-Bis(2,4-dimethoxyphenyl)urea · Urea, N,N'-bis(2,4-dimethoxyphenyl)-
https://huagongshe.com/en/chemical/3694021
Identifiers & Physical Properties
| CAS No. | 56402-79-0 |
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| Molecular formula | C17H20N2O5 |
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| Average molar mass | 332.4 g/mol |
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| Monoisotopic mass | 332.13722174 g/mol |
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| SMILES | COc1ccc(NC(=O)Nc2ccc(OC)cc2OC)c(OC)c1 |
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| InChIKey | XXHWTNYJQYPNGF-UHFFFAOYSA-N |
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| PubChem CID | 3694021 |
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| EC No. | 667-825-1 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 78.1 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 24 |
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| Formal charge | 0 |
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| Complexity | 361 |
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| GHS pictogram | GHS09 |
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| Signal word | Warning |
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| GHS hazard statements | H400 |
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| GHS precautionary statements | P273-P391-P501 |
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Safety & Regulations
| GHS classification | WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Acute 1 (100%) |
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| Signal word | Warning |
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| GHS pictogram | GHS09 |
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| GHS hazard statements | H400 |
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| GHS precautionary statements | P273-P391-P501 |
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