1-N-benzylbenzene-1,4-diamine

• ChemBase ID: 307699
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: N(c1ccc(N)cc1)Cc1ccccc1
• Canonical SMILES: Nc1ccc(cc1)NCc1ccccc1
• InChI: InChI=1S/C13H14N2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10,14H2
• InChIKey: HLFCOTXLSHLIBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-benzylbenzene-1,4-diamine
• IUPAC Traditional name: 1-N-benzylbenzene-1,4-diamine
• Synonyms: N-benzylbenzene-1,4-diamine

Database IDs

• CAS Number: 17272-83-2
• MDL Number: MFCD01365060

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6152921
• LogD (pH = 7.4): 2.318173
• Log P: 2.341571
• Molar Refractivity: 65.5648 cm^3
• Polarizability: 24.090929 Å^3
• Polar Surface Area: 38.05 Å^2