4-(2-{3-[2-(4-aminophenyl)propan-2-yl]phenyl}propan-2-yl)aniline

• ChemBase ID: 147233
• Molecular Formular: C24H28N2
• Molecular Mass: 344.49252
• Monoisotopic Mass: 344.22524891
• SMILES: CC(C)(c1ccc(cc1)N)c1cccc(c1)C(C)(C)c1ccc(cc1)N
• Canonical SMILES: CC(c1ccc(cc1)N)(c1cccc(c1)C(c1ccc(cc1)N)(C)C)C
• InChI: InChI=1S/C24H28N2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16H,25-26H2,1-4H3
• InChIKey: KWOIWTRRPFHBSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{3-[2-(4-aminophenyl)propan-2-yl]phenyl}propan-2-yl)aniline
• IUPAC Traditional name: 4-(2-{3-[2-(4-aminophenyl)propan-2-yl]phenyl}propan-2-yl)aniline
• Synonyms: Bisaniline M; 4,4′-(1,3-Phenylenediisopropylidene)bisaniline; 4,4′-(1,3-亚苯基二异亚丙基)二苯胺

Database IDs

• CAS Number: 2687-27-6
• MDL Number: MFCD00274255
• PubChem SID: 162241424; 24868249
• PubChem CID: 3292101

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.613969
• LogD (pH = 7.4): 5.672343
• Log P: 5.6731143
• Molar Refractivity: 133.9694 cm^3
• Polarizability: 42.798237 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 110-114 °C(lit.)

Safety Information

• RTECS: CV6965000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: C6H4[C(CH3)2C6H4NH2]2

DETAILS

Sigma Aldrich - 450480

Packaging
100 g in poly bottle