HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18628362Generated: October 27, 2026
1,4-Benzenedicarboxylic acid, compd. with 2-methyl-1,5-pentanediamine (1:1)
https://huagongshe.com/en/chemical/18628362
Identifiers & Physical Properties
| CAS No. | 145153-54-4 |
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| Molecular formula | C14H22N2O4 |
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| Average molar mass | 282.34 g/mol |
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| Monoisotopic mass | 282.15795719 g/mol |
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| SMILES | CC(CN)CCCN.O=C(O)c1ccc(C(=O)O)cc1 |
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| InChIKey | VREXKMBXMKUOFR-UHFFFAOYSA-N |
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| PubChem CID | 18628362 |
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| DTXSID | DTXSID601387875 |
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Chemical & Physical Properties
| Topological polar surface area | 127 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 20 |
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| Formal charge | 0 |
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| Complexity | 215 |
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