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| CAS No.: | 80935-81-5 |
|---|---|
| Name: | 2,6-Naphthyridin-1-amine(9CI) |
| Molecular Structure: | |
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| Formula: | C8H7N3 |
| Molecular Weight: | 145.164 |
| Synonyms: | 2,6-Naphthyridin-1-amine(9CI);5(1)-Amino-2,6-naphthyridine; |
| Density: | 1.293 g/cm3 |
| Boiling Point: | 363.672 °C at 760 mmHg |
| Flash Point: | 201.242 °C |
| PSA: | 51.80000 |
| LogP: | 1.79320 |
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Specification
The 2,6-Naphthyridin-1-amine, with the CAS registry number 80935-81-5, is also known as 5(1)-Amino-2,6-naphthyridine. It belongs to the product category of Isoquinoline. This chemical's molecular formula is C8H7N3 and molecular weight is 145.16. What's more, its systematic name is 2,6-naphthyridin-1-amine.
Physical properties of 2,6-Naphthyridin-1-amine are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11; (7)ACD/KOC (pH 7.4): 36; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 51.8 Å2; (12)Index of Refraction: 1.724; (13)Molar Refractivity: 44.514 cm3; (14)Molar Volume: 112.277 cm3; (15)Polarizability: 17.647×10-24cm3; (16)Surface Tension: 70.41 dyne/cm; (17)Density: 1.293 g/cm3; (18)Flash Point: 201.242 °C; (19)Enthalpy of Vaporization: 60.976 kJ/mol; (20)Boiling Point: 363.672 °C at 760 mmHg.
Preparation of 2,6-Naphthyridin-1-amine: this chemical can be prepared by 1-chloro-2,6-naphthyridine at the temperature of 175 °C. This reaction will need reagent NH3 and various solvent(s) with the reaction time of 6 hours. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc2nccc1cnccc12
(2)InChI: InChI=1S/C8H7N3/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1-5H,(H2,9,11)
(3)InChIKey: KPMHXBFDZAJXLK-UHFFFAOYSA-N