CAS No.2479-47-2,2,2-Bis(4-aminophenyl)propane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2479-47-2
Name:	2,2-Bis(4-aminophenyl)propane
Article Data:	15

Formula:	C₁₅H₁₈N₂
Molecular Weight:	226.321
Synonyms:	Aniline,4,4'-isopropylidenedi- (6CI,7CI,8CI);2,2-Bis(4-aminophenyl)propane;2,2-Bis(p-aminophenyl)propane;2,2-Di(4-aminophenyl)propane;4,4'-Isopropylidenedianiline;NSC 33421;p,p'-Isopropylidenedianiline;
EINECS:	219-612-6
Density:	1.091 g/cm³
Melting Point:	128.2-129.6 °C(Solv: benzene (71-43-2))
Boiling Point:	405.5 °C at 760 mmHg
Flash Point:	238.1 °C
PSA:	52.04000
LogP:	4.33930

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Specification

The 2,2-Bis(4-aminophenyl)propane, with the CAS registry number 2479-47-2, has the IUPAC name of 4-[2-(4-aminophenyl)propan-2-yl]aniline.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 16.91; (6)ACD/BCF (pH 7.4): 34.9; (7)ACD/KOC (pH 5.5): 213.68; (8)ACD/KOC (pH 7.4): 440.96; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 72.87 cm³; (15)Molar Volume: 207.2 cm³; (16)Polarizability: 28.89 ×10^-24 cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.091 g/cm³; (19)Flash Point: 238.1 °C; (20)Enthalpy of Vaporization: 65.7 kJ/mol; (21)Boiling Point: 405.5 °C at 760 mmHg; (22)Vapour Pressure: 8.76E-07 mmHg at 25°C; (23)Exact Mass: 226.146999; (24)MonoIsotopic Mass: 226.146999; (25)Topological Polar Surface Area: 52; (26)Heavy Atom Count: 17; (27)Complexity: 209.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(C)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N
(2)InChI: InChI=1S/C15H18N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10H,16-17H2,1-2H3
(3)InChIKey: ZYEDGEXYGKWJPB-UHFFFAOYSA-N