1-(Aziridin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
Basic information
- CAS
15257-80-4- Standard SMILES
COc1cc(CC(=O)N2CC2)cc(OC)c1OC- InChIKey
YSJUZRHMKVVAFA-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 1-(Aziridin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
- IUPAC
- 1-(aziridin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
Names & synonyms
15257-80-41-(aziridin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanoneNSC99910DTXSID80295154NSC-999101-(Aziridin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethan-1-one
Database identifiers
- CAS
15257-80-4- PubChem CID
- 264708
- DTXSID
DTXSID80295154
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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