17-N,18-N-bis[(2-aminophenyl)methyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-diamine
Basic information
- CAS
193892-57-8- Standard SMILES
Nc1ccccc1CNc1cc2c(cc1NCc1ccccc1N)OCCOCCOCCOCCO2- InChIKey
CPDGIYRLQQXTOR-UHFFFAOYSA-N- Molecular formula
- C28H36N4O5
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.26857026
Names & identifiers
- Preferred name
- 17-N,18-N-bis[(2-aminophenyl)methyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-diamine
- IUPAC
- 17-N,18-N-bis[(2-aminophenyl)methyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17,18-diamine
Names & synonyms
193892-57-8DTXSID601105928N15,N16-Bis[(2-aminophenyl)methyl]-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15,16-diamine
Database identifiers
- CAS
193892-57-8- PubChem CID
- 165367161
- DTXSID
DTXSID601105928
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 567
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Compound notes
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