Basic information
- CAS
15499-07-7- Standard SMILES
CC(=O)Nc1ccc(NCCN(C)C)c(=O)cc1- InChIKey
JSLJNUDVJHUZPB-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- Acetamide, N-(4-((2-(dimethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-
- IUPAC
- N-[4-[2-(dimethylamino)ethylamino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
- English name
- N-[4-[[2-(Dimethylamino)ethyl]amino]-5-oxo-1,3,6-cycloheptatrien-1-yl]acetamide
- Molecular formula
- C13H19N3O2
- Molecular weight
- 249.31
Names & synonyms
15499-07-7BRN 2742568Acetamide, N-(4-((2-(dimethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-2-(BETA-DIMETHYLAMINOETHYLAMINO-5-ACETAMIDO)TROPONEDTXSID40165768N-(4-((2-(Dimethylamino)ethyl)amino)-5-oxo-1,3,6-cycloheptatrien-1-yl)acetamideRefChem:315275DTXCID5088259N-[4-[2-(dimethylamino)ethylamino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamideN-(4-{[2-(DIMETHYLAMINO)ETHYL]AMINO}-5-OXOCYCLOHEPTA-1,3,6-TRIEN-1-YL)ACETAMIDEN-[4-[[2-(Dimethylamino)ethyl]amino]-5-oxo-1,3,6-cycloheptatrien-1-yl]acetamideAcetamide, N-[4-[[2-(dimethylamino)ethyl]amino]-5-oxo-1,3,6-cycloheptatrien-1-yl]-
Database identifiers
- CAS
15499-07-7- PubChem CID
- 27342
- DTXSID
DTXSID40165768- Nikkaji
- J72.569B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 433.4 · 433.4±45.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 14.58 · 14.58±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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