2NV
Summary
| Name: | 3,6,9,12,15-pentaoxaoctadecan-17-amine |
| Synonyms: | Jeffamine ED-2001 |
| Formula: | C13 H29 N O5 |
| Formal charge: | 0 |
| Formula weight: | 279.373 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (17R)-3,6,9,12,15-pentaoxaoctadecan-17-amine |
| OpenEye OEToolkits | 1.7.6 | (2R)-1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C)COCCOCCOCCOCCOCC |
| InChI | InChI | 1.03 | InChI=1S/C13H29NO5/c1-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12-13(2)14/h13H,3-12,14H2,1-2H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | LPPZTQZWMYYVLK-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOCCOCCOCCOCCOC[C@@H](C)N |
| SMILES | CACTVS | 3.385 | CCOCCOCCOCCOCCOC[CH](C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOCCOCCOCCOCCOC[C@@H](C)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOCCOCCOCCOCCOCC(C)N |
