Cinnamanilide, N-(3-(diethylamino)propyl)-2',6'-dimethyl-
Basic information
- CAS
17307-21-0- Standard SMILES
CCN(CC)CCCN(C(=O)/C=C/c1ccccc1)c1c(C)cccc1C- InChIKey
GFZKUDMJJBPQIH-UHFFFAOYSA-N- Molecular formula
- C24H32N2O
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.25146365
Names & identifiers
- Preferred name
- Cinnamanilide, N-(3-(diethylamino)propyl)-2',6'-dimethyl-
- IUPAC
- (E)-N-[3-(diethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
- English name
- SA-130
- Molecular formula
- C24H32N2O
- Molecular weight
- 364.52
Names & synonyms
17307-21-0CINNAMANILIDE, N-(3-(DIETHYLAMINO)PROPYL)-2',6'-DIMETHYL-RefChem:1081738N-(3-(Diethylamino)propyl)-2',6'-dimethylcinnamanilideSA 130BRN 2782462(E)-N-[3-(diethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamideSCHEMBL29367892SA-130Reaxys ID: 2782462N-[3-(Diethylamino)propyl]-N-(2,6-dimethylphenyl)-3-phenyl-2-propenamide
Database identifiers
- CAS
17307-21-0- PubChem CID
- 6433693
- Nikkaji
- J92.362A
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 481.392 · 481.392±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.045 · 1.045±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.224 · 10.224±0.25(predicted)
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Compound notes
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