HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106916Generated: November 3, 2026
Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 1-amino-2-propanol (1:1)
https://huagongshe.com/en/chemical/106916
Identifiers & Physical Properties
| CAS No. | 67859-80-7 |
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| Molecular formula | C14H23NO3 |
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| Average molar mass | 253.34 g/mol |
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| Monoisotopic mass | 253.1677936 g/mol |
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| SMILES | CC(C)(C)c1ccc(C(=O)O)cc1.CC(O)CN |
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| InChIKey | DTUPQRXSFPBPHI-UHFFFAOYSA-N |
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| PubChem CID | 106916 |
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| EC No. | 267-429-5 |
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| DTXSID | DTXSID60886968 |
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Chemical & Physical Properties
| Topological polar surface area | 83.6 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 206 |
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