Octadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, acetate (1:1)
Basic information
- CAS
68214-48-2- Standard SMILES
CC(=O)O.CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC(N)=O)CCN(CCC(N)=O)CCC(N)=O- InChIKey
VFFMBHXEAASUMC-UHFFFAOYSA-N- Molecular formula
- C33H66N6O6
- Average molar mass
- 642.9 g/mol
- Monoisotopic mass
- 642.50438385
Names & identifiers
- Preferred name
- Octadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, acetate (1:1)
- IUPAC
- acetic acid;N-[2-[(3-amino-3-oxopropyl)-[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]octadecanamide
Names & synonyms
EINECS 269-294-868214-48-2DTXSID90887281Octadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, monoacetateOctadecanamide, N-(2-((3-amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)-, acetate (1:1)Octadecanamide, N-[2-[(3-amino-3-oxopropyl)[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]-, acetate (1:1)Octadecanamide, N-[2-[(3-amino-3-oxopropyl)[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]-, monoacetateRefChem:167587DTXCID901026585VFFMBHXEAASUMC-UHFFFAOYSA-NNS00064484Acetic acid--N-{2-[(3-amino-3-oxopropyl){2-[bis(3-amino-3-oxopropyl)amino]ethyl}amino]ethyl}octadecanamide (1/1)
Show more names
N-(2-((3-Amino-3-oxopropyl)(2-(bis(3-amino-3-oxopropyl)amino)ethyl)amino)ethyl)stearamide monoacetate
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 31
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 705
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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctadecanamide, N-[2-[(3-amino-3-oxopropyl)[2-[bis(3-amino-3-oxopropyl)amino]ethyl]amino]ethyl]-, acetate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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