4-[N-(4-bromophenyl)carboximidoyl]-N,N-dimethylaniline

• ChemBase ID: 112410
• Molecular Formular: C15H15BrN2
• Molecular Mass: 303.197
• Monoisotopic Mass: 302.04186049
• SMILES: CN(C)c1ccc(cc1)/C=N/c1ccc(Br)cc1
• Canonical SMILES: Brc1ccc(cc1)/N=C/c1ccc(cc1)N(C)C
• InChI: InChI=1S/C15H15BrN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3-11H,1-2H3
• InChIKey: APXXWOXAUKWLDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[N-(4-bromophenyl)carboximidoyl]-N,N-dimethylaniline
• IUPAC Traditional name: 4-[N-(4-bromophenyl)carboximidoyl]-N,N-dimethylaniline
• Synonyms: p-DIMETHYLAMINO BENZYLIDENE p-BROMOANIL

Database IDs

• CAS Number: 15485-29-7
• PubChem SID: 162098259
• PubChem CID: 916453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.699432
• LogD (pH = 7.4): 4.7239814
• Log P: 4.7243032
• Molar Refractivity: 83.439 cm^3
• Polarizability: 29.953281 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223779

MP Biomedicals Rare Chemical collection