1-pentyl-1H-indole
1-pentyl-1H-indole structure
|
Common Name | 1-pentyl-1H-indole | ||
|---|---|---|---|---|
| CAS Number | 59529-21-4 | Molecular Weight | 187.281 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 302.2±11.0 °C at 760 mmHg | |
| Molecular Formula | C13H17N | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 136.6±19.3 °C | |
Summary: 1-pentyl-1H-indole, also known as 1-pentylindole, has a CAS number of 59529-21-4. Its molecular formula is C13H17N, with a molecular weight of 187.281. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-pentylindole |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 302.2±11.0 °C at 760 mmHg |
| Molecular Formula | C13H17N |
| Molecular Weight | 187.281 |
| Flash Point | 136.6±19.3 °C |
| Exact Mass | 187.136093 |
| PSA | 4.93000 |
| LogP | 4.66 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.540 |
| InChIKey | QWLCOOAYMQWDPR-UHFFFAOYSA-N |
| SMILES | CCCCCn1ccc2ccccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~93%
1-pentyl-1H-indole CAS#:59529-21-4 |
| Literature: Blaazer, Antoni R.; Lange, Jos H.M.; Van Der Neut, Martina A.W.; Mulder, Arie; Den Boon, Femke S.; Werkman, Taco R.; Kruse, Chris G.; Wadman, Wytse J. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 10 p. 5086 - 5098 |
|
~37%
1-pentyl-1H-indole CAS#:59529-21-4 |
| Literature: Katritzky, Alan R.; Lang, Hengyuan; Lan, Xiangfu Tetrahedron, 1993 , vol. 49, # 14 p. 2829 - 2838 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 5 | |
CAS#:1345973-50-3
CAS#:1366068-04-3
CAS#:1366067-88-0
CAS#:695213-59-3
CAS#:727421-73-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-amylindole |
| 1H-Indole,1-pentyl |
| 1-pentyl-indole |
| 1-Pentyl-1H-indole |
| N-pentylindole |
| N-Pentylindol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 1-pentylindole? |
| A: CAS number of 1-pentylindole is 59529-21-4. |
| Q: What is the molecular formula of 1-pentylindole? |
| A: Molecular formula of 1-pentylindole is C13H17N. |
| Q: What English synonyms does 1-pentylindole have? |
| A: English synonyms of 1-pentylindole: 1-amylindole, 1H-Indole,1-pentyl, 1-pentyl-indole, 1-Pentyl-1H-indole, N-pentylindole, N-Pentylindol. |
| Q: What is the polar surface area (PSA) of 1-pentylindole? |
| A: Polar surface area (PSA) of 1-pentylindole is 4.93000. |
| Q: What is the molecular weight of 1-pentylindole? |
| A: Molecular weight of 1-pentylindole is 187.281. |
| Q: What is the LogP of 1-pentylindole? |
| A: LogP of 1-pentylindole is 4.66. |
| Q: What is the SMILES notation of 1-pentylindole? |
| A: SMILES notation of 1-pentylindole is CCCCCn1ccc2ccccc21. |
| Q: What is the InChIKey of 1-pentylindole? |
| A: InChIKey of 1-pentylindole is QWLCOOAYMQWDPR-UHFFFAOYSA-N. |
| Q: What are the downstream products of 1-pentylindole? |
| A: Related downstream products(CAS) of 1-pentylindole: 1345973-50-3;1366068-04-3;1366067-88-0;695213-59-3;727421-73-0. |
| Q: What is the English name of 1-pentylindole? |
| A: The English name of 1-pentylindole is 1-pentylindole. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |