1,1'-(2-Aminobenzene-1,4-diyl)diethanone
Basic information
- CAS
42465-65-6- Standard SMILES
CC(=O)c1ccc(C(C)=O)c(N)c1- InChIKey
VNUYAHIHXZQWGJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 1,1'-(2-Aminobenzene-1,4-diyl)diethanone
- IUPAC
- 1-(4-acetyl-3-aminophenyl)ethanone
Names & synonyms
42465-65-61,1'-(2-aminobenzene-1,4-diyl)diethanoneNSC45800SCHEMBL12045429DTXSID40286442NSC-458001,1'-(2-Amino-1,4-phenylene)di(ethan-1-one)
Database identifiers
- CAS
42465-65-6- PubChem CID
- 239969
- DTXSID
DTXSID40286442
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…