pent-3-enenitrile
pent-3-enenitrile structure
|
Common Name | pent-3-enenitrile | ||
|---|---|---|---|---|
| CAS Number | 4635-87-4 | Molecular Weight | 81.11580 | |
| Density | 0.827g/cm3 | Boiling Point | 144-147 | |
| Molecular Formula | C5H7N | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 40ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Pentenenitrile |
|---|---|
| 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 | 0.827g/cm3 |
|---|---|
| Boiling Point | 144-147 |
| Molecular Formula | C5H7N |
| Molecular Weight | 81.11580 |
| Flash Point | 40ºC |
| Exact Mass | 81.05780 |
| PSA | 23.79000 |
| LogP | 1.47618 |
| Vapour Pressure | 24.9 mm Hg ( 50 °C) |
| Index of Refraction | n20/D 1.422 |
| InChIKey | UVKXJAUUKPDDNW-NSCUHMNNSA-N |
| SMILES | CC=CCC#N |
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.
| Hazard Codes | T: Toxic; |
|---|---|
| Risk Phrases | R10 |
| Safety Phrases | 45-41-36/37/39-14 |
| RIDADR | UN 3275 6.1/PG 2 |
| WGK Germany | 3 |
| Packaging Group | II |
| HS Code | 2926909090 |
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#:592-51-8
CAS#:75-86-5
CAS#:106-99-0
CAS#:16529-56-9
CAS#:25899-50-7
CAS#:74-90-8
CAS#:13284-42-9
CAS#:544-92-3
CAS#:626-99-3
CAS#:111-69-3
CAS#:4553-62-2
CAS#:17611-82-4
CAS#:26294-98-4
CAS#:16529-66-1
CAS#:16545-78-1
CAS#:110-59-8
CAS#:3523-02-2This 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.
|
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
|
|
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
|
|
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
|
|
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
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
|
|
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-PENTENENITRILE |
| 1-Cyano-2-butene |
| EINECS 225-060-7 |
| 2-Buten-1-yl Cyanide |
| (E)-pent-3-enenitrile |
| MFCD00001963 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3-Pentenenitrile? |
| A: LogP of 3-Pentenenitrile is 1.47618. |
| Q: What English synonyms does 3-Pentenenitrile have? |
| A: English synonyms of 3-Pentenenitrile: 3-PENTENENITRILE, 1-Cyano-2-butene, EINECS 225-060-7, 2-Buten-1-yl Cyanide, (E)-pent-3-enenitrile, MFCD00001963. |
| Q: What is the InChIKey of 3-Pentenenitrile? |
| A: InChIKey of 3-Pentenenitrile is UVKXJAUUKPDDNW-NSCUHMNNSA-N. |
| Q: What is the boiling point of 3-Pentenenitrile? |
| A: Boiling point of 3-Pentenenitrile is 144-147. |
| Q: What is the SMILES notation of 3-Pentenenitrile? |
| A: SMILES notation of 3-Pentenenitrile is CC=CCC#N. |
| Q: What is the CAS number of 3-Pentenenitrile? |
| A: CAS number of 3-Pentenenitrile is 4635-87-4. |
| Q: What are the upstream materials of 3-Pentenenitrile? |
| A: Related upstream materials(CAS) of 3-Pentenenitrile: 592-51-8;75-86-5;106-99-0;16529-56-9;25899-50-7;74-90-8;13284-42-9;544-92-3;626-99-3. |
| Q: What are the downstream products of 3-Pentenenitrile? |
| A: Related downstream products(CAS) of 3-Pentenenitrile: 111-69-3;4553-62-2;17611-82-4;592-51-8;26294-98-4;16529-66-1;16545-78-1;13284-42-9;110-59-8;3523-02-2. |
| Q: What is the English name of 3-Pentenenitrile? |
| A: The English name of 3-Pentenenitrile is 3-Pentenenitrile. |
| Q: What is the molecular weight of 3-Pentenenitrile? |
| A: Molecular weight of 3-Pentenenitrile is 81.11580. |
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. |