Basic information
- CAS
50626-33-0- Standard SMILES
CN(C)CCN1C2Cc3ccccc3C1c1ccccc12.O=C(O)/C=C/C(=O)O- InChIKey
NPBWPHJWXWHYMB-WLHGVMLRSA-N- Molecular formula
- C23H26N2O4
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.18925731
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cyclohepten-5,10-imine-12-ethanamine, 10,11-dihydro-N,N-dimethyl-, (+-)-, (E)-2-butenedioate (1:1)
- IUPAC
- 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-N,N-dimethylethanamine;(E)-but-2-enedioic acid
Names & synonyms
50626-33-05H-Dibenzo(a,d)cyclohepten-5,10-imine-12-ethanamine, 10,11-dihydro-N,N-dimethyl-, (+-)-, (E)-2-butenedioate (1:1)RefChem:1073456dl-12-(2'-Dimethylaminoethyl)-10,11-dihydro-5,10-imino-(5H)-dibenz0(a,d)cycloheptene fumarate
Database identifiers
- CAS
50626-33-0- PubChem CID
- 6445870
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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