HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 166370Generated: October 27, 2026
Benzoic acid, 2-((2-(phenylmethylene)octylidene)amino)-, 3-methylbutyl ester
https://huagongshe.com/en/chemical/166370
Identifiers & Physical Properties
| CAS No. | 72928-46-2 |
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| Molecular formula | C27H35NO2 |
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| Average molar mass | 405.6 g/mol |
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| Monoisotopic mass | 405.26677936 g/mol |
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| SMILES | CCCCCCC(C=Nc1ccccc1C(=O)OCCC(C)C)=Cc1ccccc1 |
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| InChIKey | LJVJMEOGMBKLKV-UHFFFAOYSA-N |
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| PubChem CID | 166370 |
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| EC No. | 277-075-3 |
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| DTXSID | DTXSID60868204 |
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Chemical & Physical Properties
| XLogP | 8.2 |
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| Topological polar surface area | 38.7 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 13 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 531 |
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Safety & Regulations
| Regulatory information | Chemical: Benzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 3-methylbutyl ester |
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| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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