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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110816 |
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Identification |
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| Name: |
1-pyrroline |
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| Description: | Pyrrolines, also known under the name dihydropyrroles, are three different heterocyclic organic chemical compounds which differ in the position of the double bond. Pyrrolines are formally derived from the aromate pyrrole by hydrogenation. 1-Pyrroline is a cyclic imine while 2-pyrroline and 3-pyrroline are cyclic amines. |
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Structure |
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| Synonyms: | - 3,4-dihydro-2H-Pyrrole
- Delta(1)-Pyrroline
- ?(1)-pyrroline
- Pyr1
- delta-Pyrrolinium
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Chemical Formula: |
C4H8N
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| Average Molecular Weight: |
70.065674262 |
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| Monoisotopic Molecular
Weight: |
70.065674262 |
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| InChI Key: |
ZVJHJDDKYZXRJI-UHFFFAOYSA-O |
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| InChI: |
InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2/p+1 |
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| CAS
number: |
5724-81-2 |
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| IUPAC Name: | 3,4-dihydro-2H-pyrrolium |
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Traditional IUPAC Name: |
1-pyrroline |
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| SMILES: | C1(CC[N+]=C1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organoheterocyclic compounds |
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| Sub Class | Pyrrolines |
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Direct Parent |
Pyrrolines |
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| Alternative Parents |
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| Substituents |
- Pyrroline
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Imine
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | +1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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