Diethylaminoethyl stearate
PubChem CID: 18512
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| Compound Synonyms | DIETHYLAMINOETHYL STEARATE, 2-(Diethylamino)ethyl stearate, 3179-81-5, 2-(Diethylamino)ethyl octadecanoate, 2-(Diethylamino)ethylstearate, Octadecanoic acid, 2-(diethylamino)ethyl ester, 1M3B047X4D, WARCHEM 1, Stearic acid, 2-(diethylamino)ethyl ester, (DIETHYLAMINO)ETHYL STEARATE, UNII-1M3B047X4D, EINECS 221-662-9, SCHEMBL432806, DTXSID0062896, QZJDYFVPLXBWTK-UHFFFAOYSA-N, DIETHYLAMINOETHYL STEARATE [INCI], DB-250729, NS00013577, Q27252590 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(diethylamino)ethyl octadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 9.3 |
| Molecular Formula | C24H49NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QZJDYFVPLXBWTK-UHFFFAOYSA-N |
| Fcsp3 | 0.9583333333333334 |
| Logs | -6.535 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.614 |
| Compound Name | Diethylaminoethyl stearate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 383.376 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 383.376 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 383.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.663498200000001 |
| Inchi | InChI=1S/C24H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h4-23H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients