2,4-Dimethylquinoline
PubChem CID: 14536
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| Compound Synonyms | 2,4-DIMETHYLQUINOLINE, 1198-37-4, Quinoline, 2,4-dimethyl-, 4-Methylquinaldine, 2,4-Dimethyl-quinoline, 7JL3KN3WTD, MFCD00006760, EINECS 214-832-9, UNII-7JL3KN3WTD, NSC 62132, NSC-62132, AI3-08881, CHEMBL192418, DTXSID0061610, 2,4-Dimethylquinoline, 4-Methylquinaldine, NSC 62132, NSC62132, Quinoline,4-dimethyl-, SCHEMBL89010, DTXCID7033521, BDBM50159255, STK052042, AKOS003234826, CS-W016219, SB68243, NCGC00188146-01, NCGC00188146-02, DS-14571, SY041580, DB-020000, D1237, NS00023886, EN300-119017, F19196, Q63396589, Z276653744 |
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| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | ZTNANFDSJRRZRJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,4-Dimethylquinoline, 4-Methylquinaldine, Quinoline, 2,4-dimethyl- |
| Heavy Atom Count | 12.0 |
| Compound Name | 2,4-Dimethylquinoline |
| Description | 2,4-dimethylquinoline belongs to quinolines and derivatives class of compounds. Those are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 2,4-dimethylquinoline is practically insoluble (in water) and a very strong basic compound (based on its pKa). 2,4-dimethylquinoline can be found in tea, which makes 2,4-dimethylquinoline a potential biomarker for the consumption of this food product. |
| Exact Mass | 157.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 157.089 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 157.21 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethylquinoline |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3 |
| Smiles | CC1=CC(=NC2=CC=CC=C12)C |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H11N |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all