3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal
![3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal Structure](https://image.chemsrc.com/caspic/134/5259-69-8.png)
3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal structure
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Common Name | 3-[3-(2,2-dimethyl-3-oxo-butyl)oxazol-5-yl]-3-methyl-butanal | ||
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| CAS Number | 5259-69-8 | Molecular Weight | 140.18300 | |
| Density | 1.11g/cm3 | Boiling Point | 309.5ºC at 760 mmHg | |
| Molecular Formula | C7H12N2O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 141ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(hydroxyamino)cyclohexane-1-carbonitrile |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.11g/cm3 |
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| Boiling Point | 309.5ºC at 760 mmHg |
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.18300 |
| Flash Point | 141ºC |
| Exact Mass | 140.09500 |
| PSA | 56.05000 |
| LogP | 1.58258 |
| Index of Refraction | 1.51 |
| InChIKey | IJPWQVLCMYLVHW-UHFFFAOYSA-N |
| SMILES | N#CC1(NO)CCCCC1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-[3-(2,2-dimet... CAS#:5259-69-8 |
| Literature: Neelakantan; Hartung Journal of Organic Chemistry, 1958 , vol. 23, p. 964,967 |
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3-[3-(2,2-dimet... CAS#:5259-69-8 |
| Literature: Neelakantan; Hartung Journal of Organic Chemistry, 1958 , vol. 23, p. 964,967 |
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3-[3-(2,2-dimet... CAS#:5259-69-8 |
| Literature: Hollander et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1112,1113 |
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3-[3-(2,2-dimet... CAS#:5259-69-8 |
| Literature: Hollander et al. Journal of Organic Chemistry, 1958 , vol. 23, p. 1112,1113 |
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3-[3-(2,2-dimet... CAS#:5259-69-8 |
| Literature: Wichterle; Gregor Collection of Czechoslovak Chemical Communications, 1959 , vol. 24, p. 1158,1163 |
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3-[3-(2,2-dimet... CAS#:5259-69-8 |
| Literature: Ojima,I. et al. Chemistry Letters, 1975 , p. 331 - 334 |
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3-[3-(2,2-dimet... CAS#:5259-69-8 |
| Literature: Ojima,I. et al. Chemistry Letters, 1975 , p. 331 - 334 |
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3-[3-(2,2-dimet... CAS#:5259-69-8
Detail
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| Literature: Camehn, Rainer; Rehse, Klaus Archiv der Pharmazie, 2000 , vol. 333, # 1 p. 27 - 31 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
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| DownStream 2 | |
CAS#:5524-43-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: The English name of 1-(hydroxyamino)cyclohexane-1-carbonitrile is 1-(hydroxyamino)cyclohexane-1-carbonitrile. |
| Q: What is the molecular formula of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: Molecular formula of 1-(hydroxyamino)cyclohexane-1-carbonitrile is C7H12N2O. |
| Q: What are the upstream materials of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: Related upstream materials(CAS) of 1-(hydroxyamino)cyclohexane-1-carbonitrile: 100-64-1;143-33-9;108-94-1;16499-30-2;74-90-8;62281-25-8;57910-94-8;75-64-9. |
| Q: What is the boiling point of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: Boiling point of 1-(hydroxyamino)cyclohexane-1-carbonitrile is 309.5ºC at 760 mmHg. |
| Q: What is the CAS number of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: CAS number of 1-(hydroxyamino)cyclohexane-1-carbonitrile is 5259-69-8. |
| Q: What is the LogP of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: LogP of 1-(hydroxyamino)cyclohexane-1-carbonitrile is 1.58258. |
| Q: What is the molecular weight of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: Molecular weight of 1-(hydroxyamino)cyclohexane-1-carbonitrile is 140.18300. |
| Q: What are the downstream products of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: Related downstream products(CAS) of 1-(hydroxyamino)cyclohexane-1-carbonitrile: 5524-43-6;57910-94-8. |
| Q: What is the InChIKey of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: InChIKey of 1-(hydroxyamino)cyclohexane-1-carbonitrile is IJPWQVLCMYLVHW-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 1-(hydroxyamino)cyclohexane-1-carbonitrile? |
| A: Polar surface area (PSA) of 1-(hydroxyamino)cyclohexane-1-carbonitrile is 56.05000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |