Bis(tris(2-hydroxyethyl)ammonium) nitroheptanedioate
Basic information
- CAS
94237-21-5- Standard SMILES
O=C([O-])CCCCC(C(=O)[O-])[N+](=O)[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO- InChIKey
HHXIFUXZIFFBLH-UHFFFAOYSA-N- Molecular formula
- C19H41N3O12
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.26902375
Names & identifiers
- Preferred name
- Bis(tris(2-hydroxyethyl)ammonium) nitroheptanedioate
- IUPAC
- 2-nitroheptanedioate;bis(tris(2-hydroxyethyl)azanium)
Names & synonyms
EINECS 304-121-2Bis(tris(2-hydroxyethyl)ammonium) nitroheptanedioate94237-21-5NS00065489
Database identifiers
- CAS
94237-21-5- PubChem CID
- 44154243
- EC Number
- 304-121-2
Properties
Computed structural properties
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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