N-octylimidazole
N-octylimidazole structure
|
Common Name | N-octylimidazole | ||
|---|---|---|---|---|
| CAS Number | 21252-69-7 | Molecular Weight | 180.29000 | |
| Density | 0.92 g/cm3 | Boiling Point | 302.4ºC at 760 mmHg | |
| Molecular Formula | C11H20N2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 136.7ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-octylimidazole |
|---|---|
| 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 | 0.92 g/cm3 |
|---|---|
| Boiling Point | 302.4ºC at 760 mmHg |
| Molecular Formula | C11H20N2 |
| Molecular Weight | 180.29000 |
| Flash Point | 136.7ºC |
| Exact Mass | 180.16300 |
| PSA | 17.82000 |
| LogP | 3.24360 |
| Vapour Pressure | 0.00178mmHg at 25°C |
| Index of Refraction | 1.499 |
| InChIKey | KLMZKZJCMDOKFE-UHFFFAOYSA-N |
| SMILES | CCCCCCCCn1ccnc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
| HS Code | 2933290090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~89%
N-octylimidazole CAS#:21252-69-7 |
| Literature: Ge, Lingling; Wang, Qi; Wei, Duo; Zhang, Xiaohong; Guo, Rong Journal of Physical Chemistry B, 2013 , vol. 117, # 48 p. 15014 - 15022 |
|
~61%
N-octylimidazole CAS#:21252-69-7 |
| Literature: Abramzon; Pevzner; Kofman; Alam Russian Journal of Applied Chemistry, 1996 , vol. 69, # 12 p. 1841 - 1848 |
|
~73%
N-octylimidazole CAS#:21252-69-7 |
| Literature: BASF Aktiengesellschaft Patent: US4450277 A1, 1984 ; |
|
~95%
N-octylimidazole CAS#:21252-69-7 |
| Literature: Savignac, A. de; Roques, C.; Hinedi, M.; Michel, G.; Lattes, A. European Journal of Medicinal Chemistry, 1990 , vol. 25, # 5 p. 449 - 454 |
|
~%
N-octylimidazole CAS#:21252-69-7 |
| Literature: Dankowa; Genkin; Preobrashensski Zhurnal Obshchei Khimii, 1945 , vol. 15, p. 189,192 Chem.Abstr., 1946 , p. 1800 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 3 | |
CAS#:403842-84-2
CAS#:244193-52-0
CAS#:668989-10-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933290090 |
|---|---|
| Summary | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
Metabolic activation of 2-methylfuran by rat microsomal systems.
Toxicol. Appl. Pharmacol. 78(3) , 370-6, (1985) 2-Methylfuran (2-MF), a constituent of cigarette smoke and coffee, causes necrosis of liver, lungs, and kidneys in rodents. 2-MF is metabolically activated by mixed-function oxidases to acetylacrolein... |
|
|
Disulfiram metabolism as a requirement for the inhibition of rat liver mitochondrial low Km aldehyde dehydrogenase.
Biochem. Pharmacol. 42(7) , 1361-6, (1991) In humans and animals, disulfiram produces a disulfiram-ethanol reaction after an ethanol challenge, the basis of which is the inhibition of liver aldehyde dehydrogenase (ALDH). Disulfiram and the met... |
|
|
K. Imagawa et al.
Chem. Lett. , 527, (1994)
|
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Minimum bacterial concentration (MBC) against Escherichia coli
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL678473
|
|
Name: Minimum bacterial concentration (MBC) against Staphylococcus aureus
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL807334
|
|
Name: Induction of precocious metamorphosis-inducing activity against fourth-instar larvae ...
Source: ChEMBL
Target: Bombyx mori
External Id: CHEMBL3072521
|
|
Name: Minimum inhibitory concentration (MIC) against Pseudomonas aeruginosa
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL765952
|
|
Name: Induction of precocious metamorphosis-inducing activity against fourth-instar larvae ...
Source: ChEMBL
Target: Bombyx mori
External Id: CHEMBL3072522
|
|
Name: Minimum inhibitory concentration (MIC) against Staphylococcus aureus
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL813984
|
|
Name: Minimum bacterial concentration (MBC) against Pseudomonas aeruginosa
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL771947
|
|
Name: Minimum inhibitory concentration (MIC) against Escherichia coli
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL675421
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N-1-octylimidazole |
| 1H-Imidazole,1-octyl |
| 1-octyl-1H-imidazole |
| 1-octyl-imidazole |
| N-Octyl imidazole |
| 3-octylimidazole |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1-octylimidazole? |
| A: InChIKey of 1-octylimidazole is KLMZKZJCMDOKFE-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 1-octylimidazole? |
| A: Polar surface area (PSA) of 1-octylimidazole is 17.82000. |
| Q: What is the molecular formula of 1-octylimidazole? |
| A: Molecular formula of 1-octylimidazole is C11H20N2. |
| Q: What are the downstream products of 1-octylimidazole? |
| A: Related downstream products(CAS) of 1-octylimidazole: 403842-84-2;244193-52-0;668989-10-4. |
| Q: What is the English name of 1-octylimidazole? |
| A: The English name of 1-octylimidazole is 1-octylimidazole. |
| Q: What is the boiling point of 1-octylimidazole? |
| A: Boiling point of 1-octylimidazole is 302.4ºC at 760 mmHg. |
| Q: What are the upstream materials of 1-octylimidazole? |
| A: Related upstream materials(CAS) of 1-octylimidazole: 288-32-4;111-83-1;629-27-6;111-86-4;111-85-3. |
| Q: What is the SMILES notation of 1-octylimidazole? |
| A: SMILES notation of 1-octylimidazole is CCCCCCCCn1ccnc1. |
| Q: What is the LogP of 1-octylimidazole? |
| A: LogP of 1-octylimidazole is 3.24360. |
| Q: What English synonyms does 1-octylimidazole have? |
| A: English synonyms of 1-octylimidazole: N-1-octylimidazole, 1H-Imidazole,1-octyl, 1-octyl-1H-imidazole, 1-octyl-imidazole, N-Octyl imidazole, 3-octylimidazole. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |