Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime
Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime structure
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Common Name | Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime | ||
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| CAS Number | 787-13-3 | Molecular Weight | 249.34900 | |
| Density | 1.108g/cm3 | Boiling Point | 361.4ºC at 760 mmHg | |
| Molecular Formula | C15H23NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 172.4ºC | |
Summary: 2,6-Ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one (CAS: 787-13-3), molecular formula: C15H23NO2, molecular weight: 249.34900. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one |
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| 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 | 1.108g/cm3 |
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| Boiling Point | 361.4ºC at 760 mmHg |
| Molecular Formula | C15H23NO2 |
| Molecular Weight | 249.34900 |
| Flash Point | 172.4ºC |
| Exact Mass | 249.17300 |
| PSA | 52.82000 |
| LogP | 3.79530 |
| Index of Refraction | 1.578 |
| InChIKey | MHAZQZQNQAMVMT-CXUHLZMHSA-N |
| SMILES | CC(C)(C)c1cc(C=NO)cc(C(C)(C)C)c1O |
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 presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
Benzaldehyde, 3... CAS#:787-13-3 |
| Literature: Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S.) Patent: US6335445 B1, 2002 ; Location in patent: Page column 108 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 5 | |
CAS#:1988-88-1
CAS#:1620-64-0
CAS#:724-46-9
CAS#:69230-90-6
CAS#:4910-06-9This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Counterscreen for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1): Lum...
Source: The Scripps Research Institute Molecular Screening Center
Target: transactivating tegument protein VP16 [Human herpesvirus 1]
External Id: VP16_INH_LUMI_1536_3X%INH CSRUN for SRC1
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-hydroxy-3,5-di-tert-butylbenzaldehyde oxime |
| Benzaldehyde,3,5-di-tert-butyl-4-hydroxy-,oxime |
| 3,5-di-tert-butyl-4-hydroxybenzaldoxime |
| 3,5-Di-t-butyl-4-hydroxybenzaldoxime |
| 3,5-di-tert-butyl-4-hydroxy-benzaldehyde-oxime |
| 3,5-Di-tert-butyl-4-hydroxy-benzaldehyd-oxim |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one have? |
| A: English synonyms of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one: 4-hydroxy-3,5-di-tert-butylbenzaldehyde oxime, Benzaldehyde,3,5-di-tert-butyl-4-hydroxy-,oxime, 3,5-di-tert-butyl-4-hydroxybenzaldoxime, 3,5-Di-t-butyl-4-hydroxybenzaldoxime, 3,5-di-tert-butyl-4-hydroxy-benzaldehyde-oxime, 3,5-Di-tert-butyl-4-hydroxy-benzaldehyd-oxim. |
| Q: What is the InChIKey of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one? |
| A: InChIKey of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one is MHAZQZQNQAMVMT-CXUHLZMHSA-N. |
| Q: What is the Chinese name of 787-13-3? |
| A: Chinese name of 787-13-3 is 787-13-3. |
| Q: What is the molecular formula of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one? |
| A: Molecular formula of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one is C15H23NO2. |
| Q: What are the upstream materials of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one? |
| A: Related upstream materials(CAS) of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one: 1620-98-0. |
| Q: What is the polar surface area (PSA) of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one? |
| A: Polar surface area (PSA) of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one is 52.82000. |
| Q: What is the LogP of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one? |
| A: LogP of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one is 3.79530. |
| Q: What is the CAS number of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one? |
| A: CAS number of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one is 787-13-3. |
| Q: What is the molecular weight of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one? |
| A: Molecular weight of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one is 249.34900. |
| Q: What is the boiling point of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one? |
| A: Boiling point of 2,6-ditert-butyl-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one is 361.4ºC at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |