Basic information
- CAS
40673-64-1- Standard SMILES
CC(=O)c1ccc(N(CCO)CCO)cc1- InChIKey
VLMBOVYUGIBBER-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 4-N,N-bis(2-hydroxyethyl)-aminoacetophenone
- IUPAC
- 1-[4-[bis(2-hydroxyethyl)amino]phenyl]ethanone
Names & synonyms
4-N,N-BIS(2-HYDROXYETHYL)-AMINOACETOPHENONE40673-64-1UNII-PW880ZH08PPW880ZH08P1-(4-(Bis(2-Hydroxyethyl)amino)phenyl)ethanoneEthanone, 1-(4-(bis(2-hydroxyethyl)amino)phenyl)1-(4-(Di(2-hydroxyethyl)amino)phenyl)-1-ethanoneDTXSID10193659RefChem:99993DTXCID001161501-{4-[bis(2-hydroxyethyl)amino]phenyl}ethan-1-oneQ27286788
Database identifiers
- CAS
40673-64-1- PubChem CID
- 38575
- DTXSID
DTXSID10193659- UNII
- PW880ZH08P
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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