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Name |
1,3-Bis(4-Aminophenyl)adamantane |
EINECS | N/A |
CAS No. | 58788-79-7 | Density | 1.215 g/cm3 |
PSA | 52.04000 | LogP | 5.80300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H26N2 | Boiling Point | 510.2 °C at 760 mmHg |
Molecular Weight | 318.462 | Flash Point | 315.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3-Bis(4-aminophenyl)adamantane |
Article Data | 3 |
The 1,3-Bis(4-Aminophenyl)adamantane has CAS registry number 58788-79-7. This chemical's molecular formula is C22H26N2 and molecular weight is 318.46. What's more, its systematic name is 4,4'-tricyclo[3.3.1.13,7]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