A1DJL
Summary
| Name: | (6S,9R,13S)-6,9-dimethyl-2,5,8,11-tetraoxatetradecan-13-amine |
| Synonyms: | Jeffamine fragment |
| Formula: | C12 H27 N O4 |
| Formal charge: | 0 |
| Formula weight: | 249.347 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6S,9R,13S)-6,9-dimethyl-2,5,8,11-tetraoxatetradecan-13-amine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-1-[(2~{R})-2-[(2~{S})-2-(2-methoxyethoxy)propoxy]propoxy]propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COCCOC(C)COC(C)COCC(C)N |
| InChI | InChI | 1.06 | InChI=1S/C12H27NO4/c1-10(13)7-15-8-11(2)17-9-12(3)16-6-5-14-4/h10-12H,5-9,13H2,1-4H3/t10-,11+,12-/m0/s1 |
| InChIKey | InChI | 1.06 | ANJJAGCMPNBPQD-TUAOUCFPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCO[C@@H](C)CO[C@H](C)COC[C@H](C)N |
| SMILES | CACTVS | 3.385 | COCCO[CH](C)CO[CH](C)COC[CH](C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H](COC[C@@H](C)OC[C@H](C)OCCOC)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(COCC(C)OCC(C)OCCOC)N |
