Laurylpyridinium chloride
PubChem CID: 7717
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| Compound Synonyms | 104-74-5, DODECYLPYRIDINIUM CHLORIDE, 1-Dodecylpyridinium chloride, Laurylpyridinium chloride, Eltren, Dehyquart C, Quaternario LPC, 1-Laurylpyridinium chloride, N-Dodecylpyridinium chloride, Newkalgen B 251, 1-dodecylpyridin-1-ium chloride, N-Laurylpyridinium chloride, DPC (onium compound), Pyridinium, 1-dodecyl-, chloride, UNII-KJM5A6A3YL, KJM5A6A3YL, EINECS 203-232-2, NSC 35027, 1-dodecylpyridin-1-ium, chloride, AI3-02741, NSC-35027, DTXSID7051476, Pyridinium, 1-dodecyl-, chloride (1:1), C 2 (VAN), dodecylpyridiniumchloride, lauryl pyridinium chloride, MFCD00011987, SCHEMBL122151, DTXCID5030080, 1-Dodecyl-1-pyridinium Chloride, NSC35027, AKOS015833157, FD63014, 1-Dodecylpyridinium chloride, AldrichCPR, LS-14610, DODECYLPYRIDINIUM CHLORIDE [WHO-DD], CS-0179760, D0995, NS00093491, Purease Hygienic Facial Skin Cleansing Cloths, H11279, Q27282293, 203-232-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 3.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | CCCCCCCCCCCC[n+]ccccc6.[Cl-] |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Pyridinium derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-dodecylpyridin-1-ium, chloride |
| Veber Rule | False |
| Classyfire Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H30ClN |
| Scaffold Graph Node Bond Level | c1cc[nH+]cc1 |
| Inchi Key | GKQHIYSTBXDYNQ-UHFFFAOYSA-M |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | n-dodecylpyridinium chloride |
| Esol Class | Very soluble |
| Functional Groups | [Cl-], c[n+](c)C |
| Compound Name | Laurylpyridinium chloride |
| Exact Mass | 283.207 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.207 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 283.9 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18, /h11,13-14,16-17H,2-10,12,15H2,1H3, 1H/q+1, /p-1 |
| Smiles | CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222