3-Propylpyridine
PubChem CID: 78405
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| Compound Synonyms | 3-Propylpyridine, 4673-31-8, Pyridine, 3-propyl-, 1-(3-Pyridyl)propane, 3-(n-Propyl)pyridine, 3-propyl pyridine, UNII-DL457JM1P9, Pyridine, 5-propyl, DL457JM1P9, EINECS 225-122-3, DTXSID2063551, 3-propyl pyridin, 3-propyl-pyridine, 3-Propan-3-ylpyridine, SCHEMBL173147, DTXCID9040506, MFCD00152166, AKOS006273318, AS-50140, SY111674, DS-014364, CS-0359933, NS00022209, O11051, AO-801/41077434, Q27276460, 225-122-3 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | MLAXEZHEGARMPE-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-(3-Pyridyl)propane, 3-(n-Propyl)pyridine, 3-Propylpyridine, Pyridine, 3-propyl-, Pyridine, 5-propyl |
| Heavy Atom Count | 9.0 |
| Compound Name | 3-Propylpyridine |
| Description | 3-propylpyridine belongs to pyridines and derivatives class of compounds. Those are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. 3-propylpyridine is soluble (in water) and a very strong basic compound (based on its pKa). 3-propylpyridine can be found in sweet orange, which makes 3-propylpyridine a potential biomarker for the consumption of this food product. |
| Exact Mass | 121.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 121.089 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 121.18 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-propylpyridine |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h3,5-7H,2,4H2,1H3 |
| Smiles | CCCC1=CN=CC=C1 |
| Xlogp | 1.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C8H11N |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all