(phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine

• ChemBase ID: 106946
• Molecular Formular: C16H16N2
• Molecular Mass: 236.31164
• Monoisotopic Mass: 236.13134852
• SMILES: C(C/N=C/c1ccccc1)/N=C/c1ccccc1
• Canonical SMILES: N(=C\c1ccccc1)/CC/N=C/c1ccccc1
• InChI: InChI=1S/C16H16N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
• InChIKey: QBAKBJNOARBSGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine; (E)-(phenylmethylidene)({2-[(E)-(phenylmethylidene)amino]ethyl})amine
• IUPAC Traditional name: (phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine; (E)-(phenylmethylidene)({2-[(E)-(phenylmethylidene)amino]ethyl})amine
• Synonyms: DIBENZYLIDENE ETHYLENEDIAMINE; N1,N2-Dibenzylideneethane-1,2-diamine

Database IDs

• CAS Number: 104-71-2
• MDL Number: MFCD00022040
• PubChem SID: 162090115
• PubChem CID: 66033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8913174
• LogD (pH = 7.4): 3.5260558
• Log P: 3.6726465
• Molar Refractivity: 77.2226 cm^3
• Polarizability: 28.79081 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05201987

MP Biomedicals Rare Chemical collection