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| CAS No.: | 13623-85-3 |
|---|---|
| Name: | 5,6,7,8-TETRAHYDRO-[1,7]NAPHTHYRIDINE |
| Molecular Structure: | |
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| Formula: | C8H10N2 |
| Molecular Weight: | 134.181 |
| Synonyms: | 5,6,7,8-TETRAHYDRO-[1,7]NAPHTHYRIDINE;5,6,7,8-Tetrahydro[[1,7]-naphthyridin;1,7-Naphthyridine, 5,6,7,8-tetrahydro- |
| EINECS: | 604-604-1 |
| Density: | 1.068 g/cm3 |
| Melting Point: | 275 °C(Solv: ethanol (64-17-5); chloroform (67-66-3)) |
| Boiling Point: | 247.6 °C at 760 mmHg |
| Flash Point: | 103.6 °C |
| PSA: | 24.92000 |
| LogP: | 1.05610 |
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Specification
This chemical is called 5,6,7,8-Tetrahydro-[1,7]naphthyridine, and it can also be named as 1,7-naphthyridine, 5,6,7,8-tetrahydro-. With the molecular formula of C8H10N2, its molecular weight is 134.18. The CAS registry number of this chemical is 13623-85-3.
Other characteristics of the 5,6,7,8-Tetrahydro-[1,7]naphthyridine can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 9.56; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 16.13 Å2; (10)Index of Refraction: 1.548; (11)Molar Refractivity: 39.86 cm3; (12)Molar Volume: 125.5 cm3; (13)Polarizability: 15.8×10-24cm3; (14)Surface Tension: 42.4 dyne/cm; (15)Density: 1.068 g/cm3; (16)Flash Point: 103.6 °C; (17)Enthalpy of Vaporization: 48.48 kJ/mol; (18)Boiling Point: 247.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0254 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1cccc2c1CNCC2
2.InChI: InChI=1/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,4,9H,3,5-6H2
3.InChIKey: SRQJSMFCZYZSLB-UHFFFAOYAW
4.Std. InChI: InChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-2,4,9H,3,5-6H2
5.Std. InChIKey: SRQJSMFCZYZSLB-UHFFFAOYSA-N