1-Octadecanaminium, 18-(ethylamino)-N,N,N-tris(2-hydroxyethyl)-18-oxo-, nitrate (1:1)
Basic information
- CAS
72928-19-9- Standard SMILES
CCNC(=O)CCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CCO.O=[N+]([O-])[O-]- InChIKey
XRCFPXJONFKJIY-UHFFFAOYSA-O- Molecular formula
- C26H55N3O7
- Average molar mass
- 521.7 g/mol
- Monoisotopic mass
- 521.4040011
Names & identifiers
- Preferred name
- 1-Octadecanaminium, 18-(ethylamino)-N,N,N-tris(2-hydroxyethyl)-18-oxo-, nitrate (1:1)
- IUPAC
- [18-(ethylamino)-18-oxooctadecyl]-tris(2-hydroxyethyl)azanium nitrate
Names & synonyms
1-Octadecanaminium, 18-(ethylamino)-N,N,N-tris(2-hydroxyethyl)-18-oxo-, nitrate (salt)DTXSID80726611-Octadecanaminium, 18-(ethylamino)-N,N,N-tris(2-hydroxyethyl)-18-oxo-, nitrate (1:1)RefChem:76736DTXCID404741472928-19-9XRCFPXJONFKJIY-UHFFFAOYSA-O18-(Ethylamino)-N,N,N-tris(2-hydroxyethyl)-18-oxooctadecan-1-aminium nitrate
Database identifiers
- CAS
72928-19-9- PubChem CID
- 44147447
- DTXSID
DTXSID8072661
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 25
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 409
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octadecanaminium, 18-(ethylamino)-N,N,N-tris(2-hydroxyethyl)-18-oxo-, nitrate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…