Basic information
- CAS
6307-88-6- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(NC(CO)CN(CC)CC)cc1- InChIKey
JCEUOAUCYNYHNW-UHFFFAOYSA-N- Molecular formula
- C20H35N3O3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.26784199
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 4-{[1-(diethylamino)-3-hydroxypropan-2-yl]amino}benzoate
- IUPAC
- 2-(diethylamino)ethyl 4-[[1-(diethylamino)-3-hydroxypropan-2-yl]amino]benzoate
Names & synonyms
6307-88-6NSC 442982-(diethylamino)ethyl 4-{[1-(diethylamino)-3-hydroxypropan-2-yl]amino}benzoateNSC44298DTXSID50286231NSC-44298
Database identifiers
- CAS
6307-88-6- PubChem CID
- 239343
- DTXSID
DTXSID50286231
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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