HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106980Generated: November 2, 2026
2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2-aminoethanol (1:1)
https://huagongshe.com/en/chemical/106980
Identifiers & Physical Properties
| CAS No. | 67939-53-1 |
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| Molecular formula | C23H43NO5 |
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| Average molar mass | 413.6 g/mol |
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| Monoisotopic mass | 413.31412347 g/mol |
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| SMILES | CCCCCCC1C=CC(CCCCCCCC(=O)O)CC1C(=O)O.NCCO |
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| InChIKey | WJSMHCRJYTZKHE-UHFFFAOYSA-N |
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| PubChem CID | 106980 |
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| EC No. | 267-841-5 |
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| DTXSID | DTXSID70887047 |
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Chemical & Physical Properties
| Topological polar surface area | 121 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 15 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 426 |
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Safety & Regulations
| Regulatory information | 2-Cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-, compd. with 2-aminoethanol (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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