EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | 2C12H20N2O2 |
| Net Charge | 0 |
| Average Mass | 448.608 |
| Monoisotopic Mass | 448.30496 |
| SMILES | CN(C)CCOc1cc(CCN)ccc1O.CN(C)CCOc1ccc(CCN)cc1O |
| InChI | InChI=1S/2C12H20N2O2/c1-14(2)7-8-16-12-4-3-10(5-6-13)9-11(12)15;1-14(2)7-8-16-12-9-10(5-6-13)3-4-11(12)15/h2*3-4,9,15H,5-8,13H2,1-2H3 |
| InChIKey | CMUKOSUBFJRTEO-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(2-aminoethyl)-2-[2-(dimethylamino)ethoxy]phenol 5-(2-aminoethyl)-2-[2-(dimethylamino)ethoxy]phenol (CHEBI:125694) is a primary amine (CHEBI:32877) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37263 | LINCS |