4-ethenyl-N,N-dimethylaniline

• ChemBase ID: 180491
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: N(c1ccc(cc1)C=C)(C)C
• Canonical SMILES: C=Cc1ccc(cc1)N(C)C
• InChI: InChI=1S/C10H13N/c1-4-9-5-7-10(8-6-9)11(2)3/h4-8H,1H2,2-3H3
• InChIKey: GQWAOUOHRMHSHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-N,N-dimethylaniline
• IUPAC Traditional name: 4-ethenyl-N,N-dimethylaniline
• Synonyms: N,N-dimethyl-4-vinylaniline

Database IDs

• CAS Number: 2039-80-7
• MDL Number: MFCD00085252
• PubChem SID: 164236401
• PubChem CID: 137293

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.721616
• LogD (pH = 7.4): 2.8166351
• Log P: 2.8179917
• Molar Refractivity: 50.1729 cm^3
• Polarizability: 18.729668 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%