Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)
Basic information
- CAS
62819-73-2- Standard SMILES
C1=CC(N2CCCC2)CCc2ccccc21.C1=CC(N2CCCC2)CCc2ccccc21.O=C(O)/C=C/C(=O)O- InChIKey
LYDKVLKCJSOKSS-WXXKFALUSA-N- Molecular formula
- C34H42N2O4
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.31445783
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)
- IUPAC
- (E)-but-2-enedioic acid;bis(1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)pyrrolidine)
Names & synonyms
Pyrrolidine, 1-(6,7-dihydro-5H-benzocyclohepten-7-yl)-, (E)-2-butenedioate (2:1)62819-73-2RefChem:10976001-(6,7-Dihydro-5H-benzocyclohepten-7-yl)pyrrolidine (E)-2-butenedioate (2:1)Di-(7-pyrrolidin-1-yl) 6,7-dihydro-5H-benzocycloheptene fumarate [French]SCHEMBL11628354Di-(7-pyrrolidin-1-yl) 6,7-dihydro-5H-benzocycloheptene fumarate
Database identifiers
- CAS
62819-73-2- PubChem CID
- 6446570
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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