Quinaldine
Quinaldine structure
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Common Name | Quinaldine | ||
|---|---|---|---|---|
| CAS Number | 91-63-4 | Molecular Weight | 143.185 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 246.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C10H9N | Melting Point | -2 °C | |
| MSDS | Chinese USA | Flash Point | 79.4±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Methylquinoline |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 246.5±0.0 °C at 760 mmHg |
| Melting Point | -2 °C |
| Molecular Formula | C10H9N |
| Molecular Weight | 143.185 |
| Flash Point | 79.4±0.0 °C |
| Exact Mass | 143.073502 |
| PSA | 12.89000 |
| LogP | 2.54 |
| Vapour Pressure | 0.0±0.4 mmHg at 25°C |
| Index of Refraction | 1.625 |
| InChIKey | SMUQFGGVLNAIOZ-UHFFFAOYSA-N |
| SMILES | Cc1ccc2ccccc2n1 |
| Stability | Stable, but may be light sensitive. Combustible. Incompatible with strong oxidizing agents. |
| Water Solubility | PRACTICALLY INSOLUBLE |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302 + H312 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R21/22;R36/37/38;R68 |
| Safety Phrases | S36-S45-S36/37/39-S26 |
| RIDADR | 2810.0 |
| WGK Germany | 3 |
| RTECS | UZ9625000 |
| Hazard Class | 6.1 |
| HS Code | 29334990 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:5344-90-1
CAS#:67-64-1
CAS#:1780-19-4
CAS#:4295-06-1
CAS#:1076-28-4
CAS#:552-89-6
CAS#:64-17-5
CAS#:201230-82-2
CAS#:54408-52-5
CAS#:108165-95-3
CAS#:73348-49-9
CAS#:75-07-0
CAS#:5371-52-8
CAS#:1198-37-4
CAS#:104293-35-8
CAS#:37597-46-9
CAS#:108-93-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933499090 |
|---|---|
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. 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.
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The PaaX-type repressor MeqR2 of Arthrobacter sp. strain Rue61a, involved in the regulation of quinaldine catabolism, binds to its own promoter and to catabolic promoters and specifically responds to anthraniloyl coenzyme A.
J. Bacteriol. 195(5) , 1068-80, (2013) The genes coding for quinaldine catabolism in Arthrobacter sp. strain Rue61a are clustered on the linear plasmid pAL1 in two upper pathway operons (meqABC and meqDEF) coding for quinaldine conversion ... |
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Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.
J. Med. Chem. 48 , 440-9, (2005) The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies o... |
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Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques
Eur. J. Med. Chem. 44 , 1941-51, (2009) A series of naphthalene and non-naphthalene derivatives ( n = 42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The an... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Quinaldine |
| MFCD00006756 |
| EINECS 202-085-1 |
| 2-Methylquinoline |
| Fasudil Impurity 10 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the safety information for 2-Methylquinoline? |
| A: Safety information for 2-Methylquinoline: S36-S45-S36/37/39-S26. |
| Q: What are the upstream materials of 2-Methylquinoline? |
| A: Related upstream materials(CAS) of 2-Methylquinoline: 5344-90-1;67-64-1;1780-19-4;4295-06-1;1076-28-4;552-89-6;64-17-5;201230-82-2;54408-52-5. |
| Q: What is the InChIKey of 2-Methylquinoline? |
| A: InChIKey of 2-Methylquinoline is SMUQFGGVLNAIOZ-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-Methylquinoline? |
| A: CAS number of 2-Methylquinoline is 91-63-4. |
| Q: What is the molecular formula of 2-Methylquinoline? |
| A: Molecular formula of 2-Methylquinoline is C10H9N. |
| Q: What is the melting point of 2-Methylquinoline? |
| A: Melting point of 2-Methylquinoline is -2 °C. |
| Q: What is the molecular weight of 2-Methylquinoline? |
| A: Molecular weight of 2-Methylquinoline is 143.185. |
| Q: What are the downstream products of 2-Methylquinoline? |
| A: Related downstream products(CAS) of 2-Methylquinoline: 108165-95-3;1076-28-4;73348-49-9;64-17-5;75-07-0;5371-52-8;1198-37-4;104293-35-8;37597-46-9;108-93-0. |
| Q: What is the LogP of 2-Methylquinoline? |
| A: LogP of 2-Methylquinoline is 2.54. |
| Q: What is the boiling point of 2-Methylquinoline? |
| A: Boiling point of 2-Methylquinoline is 246.5±0.0 °C at 760 mmHg. |
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. |
| Henan Tianfu Chemical Co., Ltd. |