CAS No.54628-89-6,1-(4-aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54628-89-6
Name:	1-(4-aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-amine

Formula:	C₁₈H₂₂N₂
Molecular Weight:	266.38
Synonyms:	1,3,3-Trimethyl-1-(4-aminophenyl)-2,3-dihydro-1H-indene-5-amine;
EINECS:	259-261-6
Density:	1.091 g/cm³
Boiling Point:	432.264 °C at 760 mmHg
Flash Point:	257.905 °C
PSA:	52.04000
LogP:	5.00070

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Specification

The 1-(4-Aminophenyl)-1,3,3-trimethylindan-5-amine, with the CAS registry number 54628-89-6, is also known as 1,3,3-Trimethyl-1-(4-aminophenyl)-2,3-dihydro-1H-indene-5-amine. Its EINECS registry number is 259-261-6. This chemical's molecular formula is C₁₈H₂₂N₂ and molecular weight is 266.38. What's more, its IUPAC name is 1-(4-Aminophenyl)-1,3,3-trimethyl-2H-inden-5-amine.

Physical properties about 1-(4-Aminophenyl)-1,3,3-trimethylindan-5-amine: (1)ACD/LogP: 3.599; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.60; (5)ACD/BCF (pH 5.5): 185.06; (6)ACD/BCF (pH 7.4): 317.58; (7)ACD/KOC (pH 5.5): 1249.93; (8)ACD/KOC (pH 7.4): 2144.92; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.04 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 85.278 cm³; (15)Molar Volume: 244.106 cm³; (16)Polarizability: 33.807×10^-24cm³; (17)Surface Tension: 48.84 dyne/cm; (18)Density: 1.091 g/cm³; (19)Flash Point: 257.905 °C; (20)Enthalpy of Vaporization: 68.802 kJ/mol; (21)Boiling Point: 432.264 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(cc3c1C(c2ccc(N)cc2)(CC3(C)C)C)N
(2) InChI: InChI=1S/C18H22N2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)15-9-8-14(20)10-16(15)17/h4-10H,11,19-20H2,1-3H3
(3) InChIKey: CGSKOGYKWHUSLC-UHFFFAOYSA-N