Basic information
- CAS
68214-54-0- Standard SMILES
CC(=O)O.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCN(CCC(N)=O)C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC- InChIKey
QZTKVNZEYYUVGL-UHFFFAOYSA-N- Molecular formula
- C63H124N4O6
- Average molar mass
- 1,033.7 g/mol
- Monoisotopic mass
- 1,032.95208769
Names & identifiers
- Preferred name
- Octadecanamide, N-[2-[(3-amino-3-oxopropyl)(1-oxooctadecyl)amino]ethyl]-N-[2-[(1-oxooctadecyl)amino]ethyl]-, acetate (1:1)
- IUPAC
- acetic acid;N-[2-[2-[(3-amino-3-oxopropyl)-octadecanoylamino]ethyl-octadecanoylamino]ethyl]octadecanamide
- English name
- N-[2-[(3-amino-3-oxopropyl)stearoylamino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetate
- Molecular formula
- C63H124N4O6
- Molecular weight
- 1033.68186
Names & synonyms
68214-54-0EINECS 269-297-4Octadecanamide, N-[2-[(3-amino-3-oxopropyl)(1-oxooctadecyl)amino]ethyl]-N-[2-[(1-oxooctadecyl)amino]ethyl]-, monoacetateDTXSID0071257N-(2-Carbamoylethyl)-N,N'-((octadecanoylimino)diethylene)bis(octadecanamide), acetateOctadecanamide, N-(2-((3-amino-3-oxopropyl)(1-oxooctadecyl)amino)ethyl)-N-(2-((1-oxooctadecyl)amino)ethyl)-, acetate (1:1)Octadecanamide, N-(2-((3-amino-3-oxopropyl)(1-oxooctadecyl)amino)ethyl)-N-(2-((1-oxooctadecyl)amino)ethyl)-, monoacetateOctadecanamide, N-[2-[(3-amino-3-oxopropyl)(1-oxooctadecyl)amino]ethyl]-N-[2-[(1-oxooctadecyl)amino]ethyl]-, acetate (1:1)RefChem:167586DTXCID0045707W6XNR44N3BQZTKVNZEYYUVGL-UHFFFAOYSA-N
Show more names
N-[2-[2-[(3-amino-3-oxopropyl)-octadecanoylamino]ethyl-octadecanoylamino]ethyl]octadecanamideN-[2-[(3-amino-3-oxopropyl)stearoylamino]ethyl]-N-[2-(stearoylamino)ethyl]stearamide monoacetateOctadecanamide, N-[2-[(3-amino-3-oxopropyl)(1-oxooctadecyl) mino]ethyl]-N-[2-[(1-oxooctadecyl)amino]ethyl]-, monoacetate
Properties
Computed structural properties
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 57
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- EPA Substance Registry System
- 2 · Octadecanamide, N-[2-[(3-amino-3-oxopropyl)(1-oxooctadecyl)amino]ethyl]-N-[2-[(1-oxooctadecyl)amino]ethyl]-, monoacetate (68214-54-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanamide, N-[2-[(3-amino-3-oxopropyl)(1-oxooctadecyl)amino]ethyl]-N-[2-[(1-oxooctadecyl)amino]ethyl]-, acetate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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