Identifiers & Physical Properties
| CAS No. | 471-46-5 |
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| Molecular formula | C2H4N2O2 |
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| Average molar mass | 88.07 g/mol |
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| Monoisotopic mass | 88.02727738 g/mol |
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| SMILES | NC(=O)C(N)=O |
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| InChIKey | YIKSCQDJHCMVMK-UHFFFAOYSA-N |
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| PubChem CID | 10113 |
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| ChEMBL | CHEMBL1995464 |
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| ChEBI | CHEBI:48248 |
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| EC No. | 207-442-5 |
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| DTXSID | DTXSID1060051 |
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Chemical & Physical Properties
| XLogP | -1.6 |
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| Topological polar surface area | 86.2 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 6 |
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| Formal charge | 0 |
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| Complexity | 75 |
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| Density | 1.667 @ 20°C1.667 g/cm3 |
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| Vapor pressure | 0.00000006 [mmHg] |
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| Physical Description | CBISolid[Merck Index] Beige powder[Sigma-Aldrich MSDS] |
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| Melting point | 350 °C (decomp) |
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| Boiling point | 262.7±23.0 °C(Predicted) |
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| pKa (acidity coefficient) | 13.28±0.50(Predicted) |
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Safety & Regulations
| GHS classification | WarningH302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (93.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Regulatory information | Chemical: EthanediamideCommission Regulation (EC) No 451/2000Ethanediamide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanediamide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Oxamide: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazards summary | A moderate eye irritantIntraperitoneal LD50 (rat) > 500 mg/kg[RTECS] Induces hydronephrosis in rat kidneys. [ChemIDplus] A skin and strong eye irritantHarmful by ingestion[Sigma-Aldrich MSDS] See Rubeanic acid. See Oxalic acid. |
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| Hazard Classes and Categories | Acute Tox. 4 (91.7%)Skin Irrit. 2 (93.8%)Eye Irrit. 2 (93.8%) |
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| Protective Action Criteria (PAC) | 1.3 [mg/m3]15 [mg/m3]89 [mg/m3] |
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