isometheptene
isometheptene structure
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Common Name | isometheptene | ||
|---|---|---|---|---|
| CAS Number | 503-01-5 | Molecular Weight | 141.25400 | |
| Density | 0.786g/cm3 | Boiling Point | 177.5ºC at 760mmHg | |
| Molecular Formula | C9H19N | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 46.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N,6-dimethylhept-5-en-2-amine |
|---|---|
| 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 | 0.786g/cm3 |
|---|---|
| Boiling Point | 177.5ºC at 760mmHg |
| Molecular Formula | C9H19N |
| Molecular Weight | 141.25400 |
| Flash Point | 46.3ºC |
| Exact Mass | 141.15200 |
| PSA | 12.03000 |
| LogP | 2.73160 |
| Index of Refraction | 1.438 |
| InChIKey | XVQUOJBERHHONY-UHFFFAOYSA-N |
| SMILES | CNC(C)CCC=C(C)C |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2921199090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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isometheptene CAS#:503-01-5 |
| Literature: Bilhuber Inc. Patent: AT134561 ; Full Text Show Details Bilhuber Inc. Patent: US1972450 , 1931 ; Full Text Show Details Knoll A.G. Patent: CH163535 , 1932 ; Full Text Show Details Knoll A.G. Patent: DE617536 , 1931 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 680,682 Full Text Show Details Knoll A.G. Patent: DE617879 , 1932 ; |
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isometheptene CAS#:503-01-5 |
| Literature: Taylor,W.G.; Coutts,R. Canadian Journal of Chemistry, 1979 , vol. 57, p. 2103 - 2107 |
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isometheptene CAS#:503-01-5 |
| Literature: Knoll A.G. Patent: DE617596 , 1931 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 684 Full Text Show Details Knoll A.G. Patent: CH166214 , 1932 ; |
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isometheptene CAS#:503-01-5 |
| Literature: Knoll A.G. Patent: DE617596 , 1931 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 684 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 1 | |
CAS#:63958-97-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921199090 |
|---|---|
| Summary | 2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Octinum |
| Methylisooctenylamine |
| N,6-dimethyl-5-hepten-2-amine |
| Octanil |
| Methyloctenylamine |
| Octon |
| 4-Hexenylamine,N,1,5-trimethyl |
| Octin |
| Isometheptene |
| 5-Hepten-2-amine,N,6-dimethyl |
| Isonyl |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of N,6-dimethylhept-5-en-2-amine? |
| A: SMILES notation of N,6-dimethylhept-5-en-2-amine is CNC(C)CCC=C(C)C. |
| Q: What is the LogP of N,6-dimethylhept-5-en-2-amine? |
| A: LogP of N,6-dimethylhept-5-en-2-amine is 2.73160. |
| Q: What is the English name of N,6-dimethylhept-5-en-2-amine? |
| A: The English name of N,6-dimethylhept-5-en-2-amine is N,6-dimethylhept-5-en-2-amine. |
| Q: What is the molecular weight of N,6-dimethylhept-5-en-2-amine? |
| A: Molecular weight of N,6-dimethylhept-5-en-2-amine is 141.25400. |
| Q: What is the InChIKey of N,6-dimethylhept-5-en-2-amine? |
| A: InChIKey of N,6-dimethylhept-5-en-2-amine is XVQUOJBERHHONY-UHFFFAOYSA-N. |
| Q: What is the boiling point of N,6-dimethylhept-5-en-2-amine? |
| A: Boiling point of N,6-dimethylhept-5-en-2-amine is 177.5ºC at 760mmHg. |
| Q: What are the upstream materials of N,6-dimethylhept-5-en-2-amine? |
| A: Related upstream materials(CAS) of N,6-dimethylhept-5-en-2-amine: 110-93-0;74-89-5;593-51-1;50-00-0;22462-79-9. |
| Q: What is the molecular formula of N,6-dimethylhept-5-en-2-amine? |
| A: Molecular formula of N,6-dimethylhept-5-en-2-amine is C9H19N. |
| Q: What English synonyms does N,6-dimethylhept-5-en-2-amine have? |
| A: English synonyms of N,6-dimethylhept-5-en-2-amine: Octinum, Methylisooctenylamine, N,6-dimethyl-5-hepten-2-amine, Octanil, Methyloctenylamine, Octon, 4-Hexenylamine,N,1,5-trimethyl, Octin, Isometheptene, 5-Hepten-2-amine,N,6-dimethyl, Isonyl. |
| Q: What is the CAS number of N,6-dimethylhept-5-en-2-amine? |
| A: CAS number of N,6-dimethylhept-5-en-2-amine is 503-01-5. |