Octadecanoic acid, 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl ester, acetate (1:1)
Basic information
- CAS
68134-27-0- Standard SMILES
CC(=O)O.CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN=C1CCCCCCCCCCCCCCCCC- InChIKey
LDONWRHKSXDXNH-UHFFFAOYSA-N- Molecular formula
- C40H78N2O2.C2H4O2
- Average molar mass
- 679.1 g/mol
- Monoisotopic mass
- 678.6274591
Names & identifiers
- Preferred name
- Octadecanoic acid, 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl ester, acetate (1:1)
- IUPAC
- acetic acid;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl octadecanoate
Names & synonyms
1-(2-Stearoyloxyethyl)-2-heptadecylimidazoline acetate68134-27-0DTXSID1071161EINECS 268-739-31-(2-Stearoyloxyethyl)-2-heptadecylimidazoline, acetateOctadecanoic acid, 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl ester, acetate (1:1)RefChem:167629DTXCID50455962-(2-Heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl stearate, monoacetateLDONWRHKSXDXNH-UHFFFAOYSA-NAcetic acid--2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl octadecanoate (1/1)Octadecanoic acid, 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl ester, monoacetate
Database identifiers
- CAS
68134-27-0- PubChem CID
- 109583
- DTXSID
DTXSID1071161- EC Number
- 268-739-3
Properties
Computed structural properties
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 36
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 666
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Octadecanoic acid, 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl ester, monoacetate
Octadecanoic acid, 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl ester, monoacetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanoic acid, 2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl ester, acetate (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…