JEF
Summary
| Name: | O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) |
| Synonyms: | JEFFAMINE |
| Formula: | C30 H63 N O10 |
| Formal charge: | 0 |
| Formula weight: | 597.822 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (9S,12R,15R,18S,21S,24R,27R)-6,9,12,15,18,21,24,27-octamethyl-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-amine |
| OpenEye OEToolkits | 1.5.0 | (2S)-1-[(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-[2-[(2R)-2-[(2R)-2-[(2S)-2-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(N)C)CC(OCCOC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COCCOC(C)COC(C)CO[C@H](C)CO[C@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@H](C)CO[C@H](C)COCC(C)N |
| SMILES | CACTVS | 3.341 | COCCOC(C)COC(C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)CO[CH](C)COCC(C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOC)N |
| InChI | InChI | 1.03 | InChI=1S/C30H63NO10/c1-22(31)13-33-14-23(2)35-16-25(4)37-18-27(6)39-20-29(8)41-21-30(9)40-19-28(7)38-17-26(5)36-15-24(3)34-12-11-32-10/h22-30H,11-21,31H2,1-10H3/t22?,23-,24?,25-,26?,27+,28-,29+,30?/m1/s1 |
| InChIKey | InChI | 1.03 | ICCXIDTYQFYPNV-RUMGZKRTSA-N |
