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Name |
1,8-Naphthyridin-4(1H)-one,2,3-dihydro-(9CI) |
EINECS | N/A |
CAS No. | 676515-33-6 | Density | 1.33 g/cm3 |
PSA | 41.99000 | LogP | 1.21790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8N2O | Boiling Point | 433.1 °C at 760 mmHg |
Molecular Weight | 148.164 | Flash Point | 215.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3-Dihydro-1,8-naphthyridin-4(1H)-one; |
Article Data | 2 |
The 1,8-Naphthyridin-4(1H)-one,2,3-dihydro-(9CI), with the CAS registry number 676515-33-6, is also known as 2,3-Dihydro-1,8-naphthyridin-4(1H)-one. It belongs to the product category of Pyridine. This chemical's molecular formula is C8H8N2O and molecular weight is 148.164. What's more, its systematic name is called 2,8-Dihydro-1,8-naphthyridin-4(3H)-one.
Physical properties about 1,8-Naphthyridin-4(1H)-one,2,3-dihydro-(9CI) are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.02; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 41.27 cm3; (15)Molar Volume: 110.8 cm3; (16)Surface Tension: 52.7 dyne/cm; (17)Density: 1.33 g/cm3; (18)Flash Point: 215.7 °C; (19)Enthalpy of Vaporization: 68.9 kJ/mol; (20)Boiling Point: 433.1 °C at 760 mmHg; (21)Vapour Pressure: 1.05E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2CC\N=C1\N\C=C/C=C12
(2) InChI: InChI=1/C8H8N2O/c11-7-3-5-10-8-6(7)2-1-4-9-8/h1-2,4H,3,5H2,(H,9,10)
(3) InChIKey: GLGXFIOPGKDBIF-UHFFFAOYAK