1,4-Benzenediamine,N1,N1-bis(4-aminophenyl)- (5981-09-9)

The Tris(4-aminophenyl)amine with the cas number 5981-09-9 is also called N,N-Bis(4-aminophenyl)benzene-1,4-diamine. The IUPAC name is 4-N,4-N-bis(4-aminophenyl)benzene-1,4-diamine. Its EINECS registry number is 227-791-7. This chemical belongs to the following product categories: (1)Fluorescent Labels and Indicators; (2)Fluorescent Labels & Indicators. It is yellow crystalline solid. It is a fluorescent trifunctional highly symmetric probe and shows remarkably high nonlinear optical properties.

Properties Computed from Structure: (1)XLogP3-AA: 3.1; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 4; (4)Rotatable Bond Count: 3; (5)Exact Mass: 290.153147; (6)MonoIsotopic Mass: 290.153147; (7)Topological Polar Surface Area: 81.3; (8)Heavy Atom Count: 22; (9)Formal Charge: 0; (10)Complexity: 272; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

Preparation: This chemical can be prepared by tris-(4-nitro-phenyl)-amine. This reaction needs reagent hydrochloride of tin dichloride.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(N)cc1)(c1ccc(N)cc1)c1ccc(N)cc1
(2)InChI: InChI=1/C18H18N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2