C13H27N5O6Y2-2 — CID 156664393
2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium) (PubChem CID 156664393) has the molecular formula C13H27N5O6Y2-2 and a molecular weight of 527.20 g/mol. Its IUPAC name is 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium).
| Compound Name | 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium) |
|---|---|
| PubChem CID | 156664393 |
| Molecular Formula | C13H27N5O6Y2-2 |
| Molecular Weight | 527.20 g/mol |
| Exact Mass | 527.01 |
| IUPAC Name | 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium) |
| SMILES | [CH2-]C(=O)NC.[CH2-]C(=O)NCCOCCO.[N-]=[N+]=NCCOCCO.[Y].[Y] |
| InChI | InChI=1S/C6H12NO3.C4H9N3O2.C3H6NO.2Y/c1-6(9)7-2-4-10-5-3-8;5-7-6-1-3-9-4-2-8;1-3(5)4-2;;/h8H,1-5H2,(H,7,9);8H,1-4H2;1H2,2H3,(H,4,5);;/q-1;;-1;; |
| InChIKey | QYCKJRDAKAWWKP-UHFFFAOYSA-N |
| XLogP | -1.19 |
| TPSA | 165.88 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 26 |
| Complexity | — |
1 violation
| Rule | Value |
|---|---|
| MW ≤ 500 | 527.20 |
| LogP ≤ 5 | -1.19 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 7 |
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
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