Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(dimethylamino)ethyl) ester
Basic information
- CAS
85826-14-8- Standard SMILES
CCN(CC)c1nc(Oc2ccc(C(=O)OCCN(C)C)cc2)nc(Oc2ccc(C(=O)OCCN(C)C)cc2)n1- InChIKey
SHQSVQZAJMRLRX-UHFFFAOYSA-N- Molecular formula
- C29H38N6O6
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.28528295
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(dimethylamino)ethyl) ester
- IUPAC
- 2-(dimethylamino)ethyl 4-[[4-(diethylamino)-6-[4-[2-(dimethylamino)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoate
Names & synonyms
85826-14-8Benzoic acid, 4,4'-((6-(diethylamino)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-, bis(2-(dimethylamino)ethyl) esterDTXSID20235099RefChem:327250DTXCID70157590Bis[2-(dimethylamino)ethyl] 4,4'-{[6-(diethylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dibenzoate
Database identifiers
- CAS
85826-14-8- PubChem CID
- 55398
- DTXSID
DTXSID20235099
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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