| CAS Number | 127512-29-2 |
| Catalog Number | AG000X5P(AGN-PC-0PIJUO) |
| Chemical Name | 9-Octadecenoic acid (9Z)-, 1,1'-[1-[(dimethylamino)methyl]-1,2-ethanediyl] ester |
| IUPAC Name | [3-(dimethylamino)-2-octadec-9-enoyloxypropyl] octadec-9-enoate |
| InChI | InChI=1S/C41H77NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38-39(37-42(3)4)46-41(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,39H,5-18,23-38H2,1-4H3 |
| InChI Key | NYDLOCKCVISJKK-UHFFFAOYSA-N |
| MDL Number | MFCD01321074 |
| Molecular Formula | C41H77NO4 |
| Molecular Weight | 648.0544 |
| SMILES | C(OC(=O)CCCCCCC/C=CCCCCCCCC)(COC(=O)CCCCCCC/C=CCCCCCCCC)CN(C)C |
| Synonyms | 127512-29-2,
9-Octadecenoic acid(9Z)-, 1,1'-[1-[(dimethylamino)methyl]-1,2-ethanediyl] ester,
1,2-DIOLEOYLOXY-3-(DIMETHYLAMINO)PROPANE,
ACMC-20msh4,
AC1N5LU6,
CTK4B5633,
DTXSID10400693,
AKOS030241389,
1,2-Dioleoyl-3-dimethylammonium-propane,
FT-0606429,
(Z)-3-(dimethylamino)propane-1,2-diyl dioleate,
[3-(dimethylamino)-2-octadec-9-enoyloxypropyl] octadec-9-enoate,
CID4197134,
(1-dimethylamino-3-octadec-9-enoyloxy-propan-2-yl) Octadec-9-enoate,
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| Complexity | 717 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 647.585g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 46 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 648.07g/mol |
| Monoisotopic Mass | 647.585g/mol |
| Rotatable Bond Count | 37 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 2 |
| XLogP3 | 15.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number