1,3-Bis(4-Aminophenyl)adamantane supplier

Name
1,3-Bis(4-aminophenyl)adamantane
EINECS
CAS No. 58788-79-7
Article Data3
CAS DataBase
Density 1.215 g/cm³
Solubility
Melting Point
Formula C₂₂H₂₆N₂
Boiling Point 510.2 °C at 760 mmHg
Molecular Weight 318.462
Flash Point 315.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Bis(4-aminophenyl)adamantane
PSA 52.04000
LogP 5.80300

1,3-Bis(4-Aminophenyl)adamantane Specification

The 1,3-Bis(4-Aminophenyl)adamantane has CAS registry number 58788-79-7. This chemical's molecular formula is C₂₂H₂₆N₂and molecular weight is 318.46. What's more, its systematic name is 4,4'-tricyclo[3.3.1.1^3,7]decane-1,3-diyldianiline.

Physical properties of 1,3-Bis(4-Aminophenyl)adamantane are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 860.18; (6)ACD/BCF (pH 7.4): 1217.91; (7)ACD/KOC (pH 5.5): 3968.8; (8)ACD/KOC (pH 7.4): 5619.33; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.683; (14)Molar Refractivity: 99.38 cm³; (15)Molar Volume: 261.8 cm³; (16)Polarizability: 39.39×10^-24cm³; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.215 g/cm³; (19)Flash Point: 315.6 °C; (20)Enthalpy of Vaporization: 78.1 kJ/mol; (21)Boiling Point: 510.2 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(cc1)C24CC3CC(CC(C2)C3)(C4)c5ccc(N)cc5
(2)Std. InChI: InChI=1S/C22H26N2/c23-19-5-1-17(2-6-19)21-10-15-9-16(11-21)13-22(12-15,14-21)18-3-7-20(24)8-4-18/h1-8,15-16H,9-14,23-24H2
(3)Std. InChIKey: LALHUWOVOZGIAW-UHFFFAOYSA-N

Product Name

1,3-Bis(4-aminophenyl)adamantane

1,3-Bis(4-Aminophenyl)adamantane Specification

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