HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6991891Generated: October 30, 2026
2-(tert-Butyl)-7-methyl-1H-indole
2-tert-Butyl-7-methyl-1H-indole · 1H-Indole,2-(1,1-dimethylethyl)-7-methyl-
https://huagongshe.com/en/chemical/6991891
Identifiers & Physical Properties
| CAS No. | 69622-42-0 |
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| Molecular formula | C13H17N |
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| Average molar mass | 187.28 g/mol |
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| Monoisotopic mass | 187.13609955 g/mol |
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| SMILES | Cc1cccc2cc(C(C)(C)C)[nH]c12 |
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| InChIKey | WVIIEDLFBUMOFH-UHFFFAOYSA-N |
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| PubChem CID | 6991891 |
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| DTXSID | DTXSID40426285 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 15.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 0 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 204 |
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| Melting point | 99°C |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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| Customs code | 2933998090 |
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Safety & Regulations
| Customs code | 2933998090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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