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| CAS No.: | 7675-32-3 |
|---|---|
| Name: | 2-METHYL-1,5-NAPHTHYRIDINE |
| Molecular Structure: | |
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| Formula: | C9H8N2 |
| Molecular Weight: | 144.176 |
| Synonyms: | 2-Methyl-1,5-diazanaphthalene;2-Methyl-1,5-naphthyridine;1,5-naphthyridine, 2-methyl-;2-methyl-1,5-naphthyridine; |
| Density: | 1.142 g/cm3 |
| Melting Point: | 62 °C |
| Boiling Point: | 252.835 °C at 760 mmHg |
| Flash Point: | 106.326 °C |
| PSA: | 25.78000 |
| LogP: | 1.93820 |
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Specification
The 1,5-Naphthyridine,2-methyl-, with the CAS registry number 7675-32-3, has the systematic name and IUPAC name of 2-methyl-1,5-naphthyridine. It belongs to the category of Nitrogen cyclic compounds. And the molecular formula of the chemical is C9H8N2.
The characteristics of 1,5-Naphthyridine,2-methyl- are as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.268; (4)ACD/LogD (pH 7.4): 1.272; (5)ACD/BCF (pH 5.5): 5.402; (6)ACD/BCF (pH 7.4): 5.458; (7)ACD/KOC (pH 5.5): 116.06; (8)ACD/KOC (pH 7.4): 117.263; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 45.103 cm3; (15)Molar Volume: 126.272 cm3; (16)Polarizability: 17.88×10-24cm3; (17)Surface Tension: 50.762 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 106.326 °C; (20)Enthalpy of Vaporization: 47.038 kJ/mol; (21)Boiling Point: 252.835 °C at 760 mmHg; (22)Vapour Pressure: 0.03 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc2c(n1)cccn2
(2)InChI: InChI=1/C9H8N2/c1-7-4-5-8-9(11-7)3-2-6-10-8/h2-6H,1H3
(3)InChIKey: KIWHWEDXEGNASX-UHFFFAOYAS