Basic information
- CAS
58044-99-8- Standard SMILES
CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)/C=C\C(=O)O- InChIKey
IYBMTVOXRBXURA-BTJKTKAUSA-N- Molecular formula
- C20H25N3O4
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.18450629
Names & identifiers
- Preferred name
- N'-Benzyl-N,N-dimethyl-N'-pyridin-2-ylethylenediammonium maleate
- IUPAC
- N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;(Z)-but-2-enedioic acid
Names & synonyms
58044-99-8EINECS 261-079-7N'-Benzyl-N,N-dimethyl-N'-pyridin-2-ylethylenediammonium maleateIYBMTVOXRBXURA-BTJKTKAUSA-N
Database identifiers
- CAS
58044-99-8- PubChem CID
- 6436701
- EC Number
- 261-079-7
Properties
Computed structural properties
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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