4'-Methyl-4-dimethylaminostilbene
Basic information
- CAS
7378-54-3- Standard SMILES
Cc1ccc(C=Cc2ccc(N(C)C)cc2)cc1- InChIKey
GAIASHRATFIFKI-UHFFFAOYSA-N- Molecular formula
- C17H19N
- Average molar mass
- 237.34 g/mol
- Monoisotopic mass
- 237.15174961
Names & identifiers
- Preferred name
- 4'-Methyl-4-dimethylaminostilbene
- IUPAC
- N,N-dimethyl-4-[2-(4-methylphenyl)ethenyl]aniline
- English name
- N,N-Dimethyl-4-[2-(4-methylphenyl)ethenyl]aniline
- Molecular formula
- C17H19N
- Molecular weight
- 237.34
Names & synonyms
7378-54-3N,N,4'-Trimethyl-4-stilbenamineBRN 27244334'-Methyl-4-dimethylaminostilbene4-Stilbenamine, N,N,4'-trimethyl-N,N-dimethyl-4-[2-(4-methylphenyl)ethenyl]anilineSCHEMBL10770661DTXSID60994719N,N-Dimethyl-4-[2-(4-methylphenyl)ethen-1-yl]anilineN,N,4′-TRIMETHYL-4-STILBENAMINE
Database identifiers
- CAS
7378-54-3- PubChem CID
- 94338
- DTXSID
DTXSID60994719
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 369.88 °C · 369.88°C (rough estimate)
- Density
- 0.9303 · 0.9303 (rough estimate)
- refractive index
- 1.487 · 1.4870 (estimate)
- pka
- 4.564 · 4.564±0.15(predicted)
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Compound notes
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