| CAS Number | 104162-47-2 |
| Catalog Number | AG007EMI(AGN-PC-0NVOM1) |
| Chemical Name | 1-Propanamine, N,N-dimethyl-2,3-bis[(9Z)-9-octadecenyloxy]- |
| IUPAC Name | N,N-dimethyl-2,3-bis(octadec-9-enoxy)propan-1-amine |
| InChI | InChI=1S/C41H81NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43-40-41(39-42(3)4)44-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3 |
| InChI Key | GLGLUQVVDHRLQK-UHFFFAOYSA-N |
| MDL Number | MFCD22200991 |
| Molecular Formula | C41H81NO2 |
| Molecular Weight | 620.0873 |
| SMILES | CN(CC(COCCCCCCCCC=C/CCCCCCCC)OCCCCCCCCC=C/CCCCCCCC)C |
| Synonyms | 1-Propanamine, N,N-dimethyl-2,3-bis[(9Z)-9-octadecenyloxy]-,
104162-47-2,
GLGLUQVVDHRLQK-UHFFFAOYSA-N,
ACMC-20m6xx,
ACMC-20m7p2,
1-Propanamine, N,N-dimethyl-2,3-bis[(9Z)-9-octadecenyloxy]-, (2S)-,
CTK0G6558,
104872-39-1,
(2,3-bis-octadec-9-enyloxypropyl)-dimethylamine,
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| Complexity | 573 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 619.627g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 620.104g/mol |
| Monoisotopic Mass | 619.627g/mol |
| Rotatable Bond Count | 37 |
| Topological Polar Surface Area | 21.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 2 |
| XLogP3 | 15.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number