Tricyanoaminopropene
Tricyanoaminopropene structure
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Common Name | Tricyanoaminopropene | ||
|---|---|---|---|---|
| CAS Number | 868-54-2 | Molecular Weight | 132.123 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 591.9±50.0 °C at 760 mmHg | |
| Molecular Formula | C6H4N4 | Melting Point | 171-173 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 311.8±30.1 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-amino-1-propene-1,1,3-tricarbonitrile |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 591.9±50.0 °C at 760 mmHg |
| Melting Point | 171-173 °C(lit.) |
| Molecular Formula | C6H4N4 |
| Molecular Weight | 132.123 |
| Flash Point | 311.8±30.1 °C |
| Exact Mass | 132.043594 |
| PSA | 97.39000 |
| LogP | -0.13 |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.541 |
| InChIKey | BNHGNFYPZNDLAF-UHFFFAOYSA-N |
| SMILES | N#CCC(N)=C(C#N)C#N |
| Storage condition | 2-8°C |
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
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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 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | R22 |
| Safety Phrases | S22-S24/25 |
| RIDADR | UN 3259 8/PG 3 |
| WGK Germany | 3 |
| RTECS | UD2340000 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~88%
Tricyanoaminopropene CAS#:868-54-2 |
| Literature: Mittelbach, Martin Monatshefte fuer Chemie, 1985 , vol. 116, p. 689 - 692 |
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~13%
Tricyanoaminopropene CAS#:868-54-2 |
| Literature: Gazzetta Chimica Italiana, , vol. 121, # 10 p. 483 - 485 |
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~%
Tricyanoaminopropene CAS#:868-54-2 |
| Literature: Journal of Molecular Structure, , vol. 799, # 1-3 p. 146 - 152 |
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~%
Tricyanoaminopropene CAS#:868-54-2 |
| Literature: Journal of the American Chemical Society, , vol. 80, p. 2838 US2719861 , ; |
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~%
Tricyanoaminopropene CAS#:868-54-2 |
| Literature: Journal of the American Chemical Society, , vol. 80, p. 2838 US2719861 , ; |
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~%
Tricyanoaminopropene CAS#:868-54-2 |
| Literature: Journal of the American Chemical Society, , vol. 80, p. 2838 |
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~%
Tricyanoaminopropene CAS#:868-54-2
Detail
Learn More
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| Literature: Journal of the American Chemical Society, , vol. 80, p. 2838 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
CAS#:54711-21-6
CAS#:42530-03-0
CAS#:23244-84-0
CAS#:7152-40-1
CAS#:150799-81-8![4,6-diamino-1-(4-chlorophenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile structure](https://image.chemsrc.com/caspic/322/124476-84-2.png)
CAS#:124476-84-2![4,6-DIAMINO-1-(4-METHOXY-PHENYL)-2-OXO-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBONITRILE structure](https://image.chemsrc.com/caspic/360/124476-83-1.png)
CAS#:124476-83-1![4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile structure](https://image.chemsrc.com/caspic/446/124476-81-9.png)
CAS#:124476-81-9![1H-Pyrazolo[4,3-c]pyridine-7-carboxylicacid,3-amino-4-hydroxy-(6CI) structure](https://image.chemsrc.com/caspic/474/120581-76-2.png)
CAS#:120581-76-2
CAS#:778-50-7This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Synthesis, characterization and optical properties of merocyanines derived from malononitrile dimer. Alias S, et al.
Tetrahedron Lett. 48(37) , 6539-6542, (2007)
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An improved and facile synthesis of 2-amino-1, 1, 3-tricyanopropene. Mittelbach M.
Monatsh. Chem 116(5) , 689-691, (1985)
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This 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: Flow Cytometric HTS Screen for inhibitors of the ABC transporter ABCB6 for Validation...
Source: NMMLSC
Target: ATP-binding cassette sub-family B member 6, mitochondrial [Homo sapiens]
External Id: UNMCMD_ABCB6_1o_ValidationSet
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Tricyanoaminopropene |
| EINECS 212-777-5 |
| MFCD00001851 |
| 2-Amino-1-propene-1,1,3-tricarbonitrile |
| 1,1,3-tricyano-2-amino-1-propene |
| 2-aminoprop-1-ene-1,1,3-tricarbonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: InChIKey of 2-amino-1-propene-1,1,3-tricarbonitrile is BNHGNFYPZNDLAF-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: Related upstream materials(CAS) of 2-amino-1-propene-1,1,3-tricarbonitrile: 109-77-3;71-43-2;109-99-9;60-29-7;7647-01-0;64-17-5;10544-72-6. |
| Q: What is the SMILES notation of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: SMILES notation of 2-amino-1-propene-1,1,3-tricarbonitrile is N#CCC(N)=C(C#N)C#N. |
| Q: What is the molecular formula of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: Molecular formula of 2-amino-1-propene-1,1,3-tricarbonitrile is C6H4N4. |
| Q: What is the CAS number of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: CAS number of 2-amino-1-propene-1,1,3-tricarbonitrile is 868-54-2. |
| Q: What is the boiling point of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: Boiling point of 2-amino-1-propene-1,1,3-tricarbonitrile is 591.9±50.0 °C at 760 mmHg. |
| Q: What is the LogP of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: LogP of 2-amino-1-propene-1,1,3-tricarbonitrile is -0.13. |
| Q: What is the melting point of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: Melting point of 2-amino-1-propene-1,1,3-tricarbonitrile is 171-173 °C(lit.). |
| Q: What are the downstream products of 2-amino-1-propene-1,1,3-tricarbonitrile? |
| A: Related downstream products(CAS) of 2-amino-1-propene-1,1,3-tricarbonitrile: 54711-21-6;42530-03-0;23244-84-0;7152-40-1;150799-81-8;124476-84-2;124476-83-1;124476-81-9;120581-76-2;778-50-7. |
| Q: What English synonyms does 2-amino-1-propene-1,1,3-tricarbonitrile have? |
| A: English synonyms of 2-amino-1-propene-1,1,3-tricarbonitrile: Tricyanoaminopropene, EINECS 212-777-5, MFCD00001851, 2-Amino-1-propene-1,1,3-tricarbonitrile, 1,1,3-tricyano-2-amino-1-propene, 2-aminoprop-1-ene-1,1,3-tricarbonitrile. |
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. |