HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 170708Generated: October 26, 2026
1H-Indole, 2-methyl-1-octyl-
1-Octyl-2-mthylindole · 2-methyl-1-octylindole · 1-OCTYL-2-METHYLINDOLE · 1-N-OCTYL-2-METHYLINDOLE · 2-METHYL-1-N-OCTYLINDOLE · n-Octyl-1,2-methylindole · 2-methyl-1-octyl-1h-indol · 2-methyl-1-octyl-1H-indole
https://huagongshe.com/en/chemical/170708
Identifiers & Physical Properties
| CAS No. | 42951-39-3 |
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| Molecular formula | C17H25N |
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| Average molar mass | 243.4 g/mol |
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| Monoisotopic mass | 243.1986998 g/mol |
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| SMILES | CCCCCCCCn1c(C)cc2ccccc21 |
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| InChIKey | MOVCYDNEZZZSLV-UHFFFAOYSA-N |
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| PubChem CID | 170708 |
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| EC No. | 256-016-5 |
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| DTXSID | DTXSID6068438 |
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Chemical & Physical Properties
| XLogP | 5.8 |
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| Topological polar surface area | 4.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 0 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 226 |
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| Boiling point | 367.3±11.0 °C(Predicted) |
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| Density | 0.94±0.1 g/cm3(Predicted) |
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| Storage conditions | 2-8°C |
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| CAS DataBase Reference | 42951-39-3(CAS DataBase Reference) |
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| FDA UNII | MUE6LN74XG |
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| EPA Substance Registry System | 1H-Indole, 2-methyl-1-octyl- (42951-39-3) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 |
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| TSCA inventory status | TSCA listed |
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Safety & Regulations
| TSCA inventory status | TSCA listed |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 |
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