Identifiers & Physical Properties
| CAS No. | 36678-65-6 |
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| Molecular formula | C8H22N4 |
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| Average molar mass | 174.29 g/mol |
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| Monoisotopic mass | 174.18444672 g/mol |
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| SMILES | C[C@H](CN)NCCN[C@@H](C)CN |
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| InChIKey | PQQFEOVQJBNJJF-OCAPTIKFSA-N |
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| PubChem CID | 3084635 |
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Chemical & Physical Properties
| XLogP | -1.6 |
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| Topological polar surface area | 76.1 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 85.1 |
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Safety & Regulations
| Regulatory information | Chemical: 1,2-Propanediamine, N2,N2'-1,2-ethanediylbis- |
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| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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