Basic information
- CAS
93893-34-6- Standard SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NCCNCCN- InChIKey
DNMNDVSFVZUBTJ-IUQGRGSQSA-N- Molecular formula
- C22H41N3O
- Average molar mass
- 363.6 g/mol
- Monoisotopic mass
- 363.32496294
Names & identifiers
- Preferred name
- N-[2-[(2-aminoethyl)amino]ethyl]-9,12,15-octadecatrienamide
- IUPAC
- (9E,12E,15E)-N-[2-(2-aminoethylamino)ethyl]octadeca-9,12,15-trienamide
Names & synonyms
EINECS 299-622-593893-34-6N-[2-[(2-AMINOETHYL)AMINO]ETHYL]-9,12,15-OCTADECATRIENAMIDEN-(2-((2-Aminoethyl)amino)ethyl)-9,12,15-octadecatrienamideRefChem:161562299-622-5DNMNDVSFVZUBTJ-IUQGRGSQSA-N
Database identifiers
- CAS
93893-34-6- PubChem CID
- 6366285
- EC Number
- 299-622-5
- Nikkaji
- J305.113G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 389
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 InformationChemical: 9,12,15-Octadecatrienamide, N-[2-[(2-aminoethyl)amino]ethyl]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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