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CAS No.: | 351457-97-1 |
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Name: | 5-Bromo-1,2,3,4-tetrahydro-[1,7]naphthyridine |
Molecular Structure: | |
Formula: | C8H9BrN2 |
Molecular Weight: | 213.07 |
Synonyms: | 5-Bromo-1,2,3,4-tetrahydro-[1,7]naphthyridine;5-broMo-1;7-naphthyridine |
Density: | 1.504 g/cm3 |
Boiling Point: | 295.843 °C at 760 mmHg |
Flash Point: | 132.722 °C |
PSA: | 24.92000 |
LogP: | 2.34020 |
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The CAS registry number of 1,7-Naphthyridine,5-bromo-1,2,3,4-tetrahydro- is 54920-84-2. The IUPAC name is 5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine. In addition, the molecular formula is C8H9BrN2 and the molecular weight is 213.07. It belongs to the class of Chiral Chemicals. And it should be stored in a cool and dry place.
Physical properties about 1,7-Naphthyridine,5-bromo-1,2,3,4-tetrahydro- are: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 13; (5)ACD/BCF (pH 7.4): 13; (6)ACD/KOC (pH 5.5): 214; (7)ACD/KOC (pH 7.4): 222; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 24.92 Å2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 47.557 cm3; (13)Molar Volume: 141.704 cm3; (14)Polarizability: 18.853 ×10-24cm3; (15)Surface Tension: 46.961 dyne/cm; (16)Density: 1.504 g/cm3; (17)Flash Point: 132.722 °C; (18)Enthalpy of Vaporization: 53.558 kJ/mol; (19)Boiling Point: 295.843 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cncc2NCCCc12
(2)InChI: InChI=1/C8H9BrN2/c9-7-4-10-5-8-6(7)2-1-3-11-8/h4-5,11H,1-3H2
(3)InChIKey: WBDFPECBTFVBDX-UHFFFAOYAK