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 |