2-Ethylhexyl 3-aminopropyl ether
PubChem CID: 21499
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| Compound Synonyms | 5397-31-9, 2-Ethylhexyloxypropylamine, 2-Ethylhexyl 3-aminopropyl ether, 3-((2-Ethylhexyl)oxy)propan-1-amine, 3-(2-Ethylhexyloxy)propylamine, 3-(2-Ethylhexoxy)propylamine, 3-((2-Ethylhexyl)oxy)propylamine, 3-(2-ethylhexoxy)propan-1-amine, Propylamine, 3-(2-ethylhexoxy)-, 1-Propanamine, 3-[(2-ethylhexyl)oxy]-, 3-[(2-Ethylhexyl)oxy]propylamine, 1-Propanamine, 3-((2-ethylhexyl)oxy)-, NSC 1078, CCRIS 4648, Propylamine, 3-((2-ethylhexyl)oxy)-, EINECS 226-420-6, 3-[(2-ethylhexyl)oxy]propan-1-amine, Propylamine, 3-[(2-ethylhexyl)oxy]-, BRN 1740535, DTXSID1025304, 3-Aminopropyl 2-Ethylhexyl Ether, NSC-1078, TOMAMINE PA-12EH, 3-(2-ETHYLHEXYLOXY)-1-PROPANAMINE, DTXCID705304, N09409V116, 3-(2-Ethylhexyloxy)-propylamine, EC 226-420-6, n-Propanolamine 2-Ethylhexyl Ether, 3-((ETHYLHEXYL)OXY)PROPYLAMINE, 3-[(2-Ethylhexyl)oxy]-1-propanamine, J35.195D, 3-((2-Ethylhexyl)oxy)-1-propanamine, PA-12EH, NSC1078, UNII-N09409V116, MFCD00025619, 2-(Ethylhexyloxy)propylamine, PA 12EH, SCHEMBL179734, Tomah PA-12EH (Salt/Mix), CHEMBL1331832, SCHEMBL11734765, DVFGEIYOLIFSRX-UHFFFAOYSA-, CHEBI:194207, 3-(2-ethylhexyloxy)propan-1-amine, Tox21_200836, AKOS009159536, 1-Propanamine, 3-(2-ethylhexyl)oxy-, 2-ETHYLHEXYL-3-AMINOPROPYL ETHER, NCGC00091627-01, NCGC00091627-02, NCGC00258390-01, 3-[(2-Ethylhexyl)oxy]-1-propanamine #, LS-14035, CAS-5397-31-9, E0295, NS00003097, F71176, Q27284340, 226-420-6, 616-336-1, 76461-78-4, InChI=1/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3 |
|---|---|
| Topological Polar Surface Area | 35.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.1 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08684, P51449, P04792, P05412 |
| Iupac Name | 3-(2-ethylhexoxy)propan-1-amine |
| Prediction Hob | 1.0 |
| Target Id | NPT109 |
| Xlogp | 2.6 |
| Molecular Formula | C11H25NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | DVFGEIYOLIFSRX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.374 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.198 |
| Compound Name | 2-Ethylhexyl 3-aminopropyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 187.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 187.194 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 187.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0580273999999994 |
| Inchi | InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3 |
| Smiles | CCCCC(CC)COCCCN |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Liriope Muscari (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all