Basic information
- CAS
203578-54-5- Standard SMILES
O=C(O)C(F)(F)F.c1ccc(CNCCCNCCCCNCCCNCc2ccccc2)cc1- InChIKey
AJXUHBKICMWXIU-UHFFFAOYSA-N- Molecular formula
- C26H39F3N4O2
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.30251099
Names & identifiers
- Preferred name
- N,N'-bis[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
- IUPAC
- N,N'-bis[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
Names & synonyms
MLS002702398203578-54-5NSC690024CHEMBL1722946DTXSID40942516N,N'-bis[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acidNSC-690024SMR0015659601, N,N'-bis[3-[(phenylmethyl)amino]propyl]-,tetra(trifluoroacetate)Trifluoroacetic acid--N~1~,N~4~-bis[3-(benzylamino)propyl]butane-1,4-diamine (1/1)
Database identifiers
- CAS
203578-54-5- PubChem CID
- 391190
- DTXSID
DTXSID40942516- ChEMBL
CHEMBL1722946
Properties
Computed structural properties
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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