Basic information
- CAS
52320-95-3- Standard SMILES
CCN(CC)C(=O)N1C2CCC1CN(C)C2.O=C(O)/C=C/C(=O)O- InChIKey
BEPHFAAMLACRIJ-WLHGVMLRSA-N- Molecular formula
- C16H27N3O5
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.19507097
Names & identifiers
- Preferred name
- (E)-but-2-enedioic acid;N,N-diethyl-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
- IUPAC
- (E)-but-2-enedioic acid;N,N-diethyl-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
Names & synonyms
NSC152743NSC-15274352320-95-3
Database identifiers
- CAS
52320-95-3- PubChem CID
- 6509529
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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