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CONTACT US| Catalog Number | ACM72719847 |
| CAS | 72719-84-7 |
| Structure |  |
| Synonyms | 1,2-Dimyristoyl-3-dimethylammonium-propane |
| IUPAC Name | [3-(Dimethylamino)-2-tetradecanoyloxypropyl] tetradecanoate |
| Molecular Weight | 539.9 |
| Molecular Formula | C33H65NO4 |
| Canonical SMILES | CCCCCCCCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C33H65NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30-31(29-34(3)4)38-33(36)28-26-24-22-20-18-16-14-12-10-8-6-2/h31H,5-30H2,1-4H3 |
| InChI Key | QUQHEMSUWCJRBP-UHFFFAOYSA-N |
| Purity | 99%+ |
| Complexity | 523 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Exact Mass | 539.49135955 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Monoisotopic Mass | 539.49135955 |
| Physical State | Powder |
| Rotatable Bond Count | 31 |
| Storage Conditions | -20 °C |
| Topological Polar Surface Area | 55.8 Ų |
What is the molecular formula of 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
The molecular formula is C33H65NO4.
What is the exact mass of 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
The exact mass is 539.49135955.
How many heavy atoms are present in the chemical structure of 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
There are 38 heavy atoms.
What is the name of the compound with the IUPAC name [3-(dimethylamino)-2-tetradecanoyloxypropyl] tetradecanoate?
The compound is 3-(DImethylamino)propane-1,2-diyl ditetradecanoate.
How many hydrogen bond acceptors are present in 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
There are 5 hydrogen bond acceptors.
What is the canonical SMILES representation of 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
The canonical SMILES is CCCCCCCCCCCCCC(=O)OCC(CN(C)C)OC(=O)CCCCCCCCCCCCC.
What is the XLogP3 value of 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
The XLogP3 value is 12.6.
How many rotatable bonds are present in 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
There are 31 rotatable bonds.
What is the InChIKey of 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
The InChIKey is QUQHEMSUWCJRBP-UHFFFAOYSA-N.
What are some of the depositor-supplied synonyms for 3-(DImethylamino)propane-1,2-diyl ditetradecanoate?
Some synonyms include 14:0 DAP, 72719-84-7, BP-28226, and 14:0 DAP, 1,2-dimyristoyl-3-dimethylammonium-propane, powder.
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