Basic information
- CAS
56464-20-1- Standard SMILES
CCn1c(C)c(C(C)=O)c(N)c1-c1ccccc1- InChIKey
CTUFIXJQAWGDQP-UHFFFAOYSA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.1419132
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-YL)-
- IUPAC
- 1-(4-amino-1-ethyl-2-methyl-5-phenylpyrrol-3-yl)ethanone
- English name
- 1-(4-Amino-1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanone
- Molecular formula
- C15H18N2O
- Molecular weight
- 242.32
Names & synonyms
56464-20-11-(4-Amino-1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanoneETHANONE, 1-(4-AMINO-1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)-BRN 0482704Ketone, (4-amino-1-ethyl-2-methyl-5-phenylpyrrol-3-yl) methylSCHEMBL11452517DTXSID602050191-(4-amino-1-ethyl-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-oneDB-290718
Database identifiers
- CAS
56464-20-1- PubChem CID
- 41891
- DTXSID
DTXSID60205019- Nikkaji
- J61.512I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 107 °C · 107 °C
- Boiling point
- 385.14 °C · 385.14°C (rough estimate)
- Density
- 1.0388 · 1.0388 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
- pka
- 2.73 · 2.73±0.11(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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