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CAS No.: | 253-72-5 |
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Name: | 1,6-Naphthyridine |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H6N2 |
Molecular Weight: | 130.15 |
Synonyms: | 1,6-Diazanaphthalene;1,6-Pyridopyridine;Pyridino[4,3-b]pyridine;CHEBI:36627;AC1Q2ARU;AC1Q4WYG; |
Density: | 1.183 g/cm3 |
Melting Point: | 231-233°C |
Boiling Point: | 267.3 °C at 760 mmHg |
Flash Point: | 118.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 25.78000 |
LogP: | 1.62980 |
The 1,6-Naphthyridine with CAS registry number of 253-72-5 is also known as 1,6-Diazanaphthalene. The IUPAC name is 1,6-Naphthyridine. It belongs to product categories of Pyridine. This chemical may cause inflammation to the skin or other mucous membranes. In addition, the formula is C8H6N2 and the molecular weight is 130.15.
Physical properties about 1,6-Naphthyridine are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.63; (6)ACD/BCF (pH 7.4): 1.66; (7)ACD/KOC (pH 5.5): 49.04; (8)ACD/KOC (pH 7.4): 49.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 40.27 cm3; (15)Molar Volume: 109.9 cm3; (16)Polarizability: 15.96×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 48.49 kJ/mol; (21)Boiling Point: 267.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0136 mmHg at 25 °C.
Uses of 1,6-Naphthyridine: it is used to produce 6-acetyl-5-(2-oxo-propyl)-5,6-dihydro-[1,6]naphthyridine by reaction of acetic acid and propan-2-one. The reaction occurs at ambient temperature and the yield is about 62.2%.
You can still convert the following datas into molecular structure:
1. SMILES: n1cccc2c1ccnc2
2. InChI: InChI=1/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H
3. InChIKey: VSOSXKMEQPYESP-UHFFFAOYAB
4. Std. InChI: InChI=1S/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H
5. Std. InChIKey: VSOSXKMEQPYESP-UHFFFAOYSA-N