(E)-[(4-bromophenyl)methylidene][2-(dimethylamino)ethyl]amine

• ChemBase ID: 53889
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: c1c(ccc(c1)/C=N/CCN(C)C)Br
• Canonical SMILES: CN(CC/N=C/c1ccc(cc1)Br)C
• InChI: InChI=1S/C11H15BrN2/c1-14(2)8-7-13-9-10-3-5-11(12)6-4-10/h3-6,9H,7-8H2,1-2H3/b13-9+
• InChIKey: UMPHRHWZXAWCBW-UKTHLTGXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-[(4-bromophenyl)methylidene][2-(dimethylamino)ethyl]amine
• IUPAC Traditional name: (E)-[(4-bromophenyl)methylidene][2-(dimethylamino)ethyl]amine
• Synonyms: N'-[1-(4-Bromo-phenyl)-meth-(E)-ylidene]-N,N-dimethyl-ethane-1,2-diamine

Database IDs

• MDL Number: MFCD15142809
• PubChem SID: 162058652
• PubChem CID: 56604781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.48693827
• LogD (pH = 7.4): 1.3665726
• Log P: 2.709483
• Molar Refractivity: 65.2377 cm^3
• Polarizability: 24.47798 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%