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| CAS No.: | 193944-66-0 |
|---|---|
| Name: | 4'-AMINO-2,2':6',2''-TERPYRIDINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C15H12N4 |
| Molecular Weight: | 248.287 |
| Synonyms: | 4'-(p-Aminophenyl)-2,2'6,2''-Terpyridine;4'-Amino-2,2':6',2''-terpyridine;2,2':6',2''-Terpyridin-4'-amin; |
| Density: | 1.229 g/cm3 |
| Melting Point: | 228-230 °C |
| Boiling Point: | 506.497 °C at 760 mmHg |
| Flash Point: | 292.638 °C |
| PSA: | 64.69000 |
| LogP: | 3.36900 |
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Specification
This chemical is called [2,2':6',2''-Terpyridin]-4'-amine, and it can also be named as 4'-Amino-2,2':6',2''-terpyridine. With the molecular formula of C15H12N4, its molecular weight is 248.28. The CAS registry number of this chemical is 193944-66-0, and its systematic name is 2,2':6',2''-Terpyridin-4'-amin.
Other characteristics of the [2,2':6',2''-Terpyridin]-4'-amine can be summarised as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 4; (7)ACD/KOC (pH 7.4): 72; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 64.69 Å2; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 73.947 cm3; (14)Molar Volume: 201.954 cm3; (15)Polarizability: 29.315×10-24 cm3; (16)Surface Tension: 60.084 dyne/cm; (17)Density: 1.229 g/cm3; (18)Flash Point: 292.638 °C; (19)Enthalpy of Vaporization: 77.64 kJ/mol; (20)Boiling Point: 506.497 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1ccnc(c1)c2cc(cc(n2)c3ccccn3)N
2.InChI: InChI=1/C15H12N4/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H2,16,19)
3.InChIKey: ROISIAUYBSOVRR-UHFFFAOYAS