5H-Dibenzo(a,d)cyclohepten-10-carboxylic acid, 2-(dimethylamino)ethyl ester, hydrogen fumarate
Basic information
- CAS
27720-08-7- Standard SMILES
CN(C)CCOC(=O)C1=Cc2ccccc2Cc2ccccc21.O=C(O)/C=C/C(=O)O- InChIKey
UNUKDQAZTDKTEN-WLHGVMLRSA-N- Molecular formula
- C24H25NO6
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.16818752
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cyclohepten-10-carboxylic acid, 2-(dimethylamino)ethyl ester, hydrogen fumarate
- IUPAC
- (E)-but-2-enedioic acid;2-(dimethylamino)ethyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate
Names & synonyms
5H-Dibenzo(a,d)cyclohepten-10-carboxylic acid, 2-(dimethylamino)ethyl ester, hydrogen fumarate27720-08-7RefChem:10734512-(Dimethylamino)ethyl 5H-dibenzo(a,d)cyclohepten-10-carboxylate hydrogen fumarate
Database identifiers
- CAS
27720-08-7- PubChem CID
- 6445337
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 562
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…