1,2,3,4-Tetrahydro-6-isoquinolinecarbonitrile
1,2,3,4-Tetrahydro-6-isoquinolinecarbonitrile structure
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Common Name | 1,2,3,4-Tetrahydro-6-isoquinolinecarbonitrile | ||
|---|---|---|---|---|
| CAS Number | 166398-34-1 | Molecular Weight | 158.200 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 301.5±42.0 °C at 760 mmHg | |
| Molecular Formula | C10H10N2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 136.2±27.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile |
|---|---|
| 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 | 301.5±42.0 °C at 760 mmHg |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.200 |
| Flash Point | 136.2±27.9 °C |
| Exact Mass | 158.084396 |
| PSA | 35.82000 |
| LogP | 0.84 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.595 |
| InChIKey | RKWNQODBLXZUES-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc2c(c1)CCNC2 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933499090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~77%
1,2,3,4-Tetrahy... CAS#:166398-34-1 |
| Literature: Demont, Emmanuel H.; Arpino, Sandra; Bit, Rino A.; Campbell, Colin A.; Deeks, Nigel; Desai, Sapna; Dowell, Simon J.; Gaskin, Pam; Gray, James R. J.; Harrison, Lee A.; Haynes, Andrea; Heightman, Tom D.; Holmes, Duncan S.; Humphreys, Philip G.; Kumar, Umesh; Morse, Mary A.; Osborne, Greg J.; Panchal, Terry; Philpott, Karen L.; Taylor, Simon; Watson, Robert; Willis, Robert; Witherington, Jason Journal of Medicinal Chemistry, 2011 , vol. 54, # 19 p. 6724 - 6733 |
This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile |
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 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: CAS number of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is 166398-34-1. |
| Q: What is the molecular weight of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: Molecular weight of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is 158.200. |
| Q: What is the English name of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: The English name of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile. |
| Q: What is the polar surface area (PSA) of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: Polar surface area (PSA) of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is 35.82000. |
| Q: What is the LogP of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: LogP of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is 0.84. |
| Q: What is the InChIKey of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: InChIKey of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is RKWNQODBLXZUES-UHFFFAOYSA-N. |
| Q: What is the boiling point of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: Boiling point of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is 301.5±42.0 °C at 760 mmHg. |
| Q: What English synonyms does 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile have? |
| A: English synonyms of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile: 1,2,3,4-tetrahydroisoquinoline-6-carbonitrile. |
| Q: What is the molecular formula of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: Molecular formula of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is C10H10N2. |
| Q: What is the SMILES notation of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile? |
| A: SMILES notation of 1,2,3,4-Tetrahydroisoquinoline-6-carbonitrile is N#Cc1ccc2c(c1)CCNC2. |
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. |