Basic information
- CAS
87048-94-0- Standard SMILES
CC(=O)c1ccc(OCCCNC(C)C)cc1OCCCNC(C)C- InChIKey
OOUJAQZUDQOXBS-UHFFFAOYSA-N- Molecular formula
- C20H34N2O3
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.25694295
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-bis(3-((1-methylethyl)amino)propoxy)phenyl)-
- IUPAC
- 1-[2,4-bis[3-(propan-2-ylamino)propoxy]phenyl]ethanone
Names & synonyms
BRN 45067282,4-Bis((3-isopropylamino)propoxy)acetophenoneETHANONE, 1-(2,4-BIS(3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-87048-94-01-(2,4-Bis(3-((1-methylethyl)amino)propoxy)phenyl)ethanoneDTXSID00236089RefChem:341028DTXCID501585801-(2,4-Bis{3-[(propan-2-yl)amino]propoxy}phenyl)ethan-1-one
Database identifiers
- CAS
87048-94-0- PubChem CID
- 55596
- DTXSID
DTXSID00236089
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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