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CAS No.: | 886362-45-4 |
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Name: | 8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPOINIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C16H22N2O4 |
Molecular Weight: | 306.362 |
Synonyms: | 1,8-Naphthyridine-2-propanoicacid, 8-[(1,1-dimethylethoxy)carbonyl]-5,6,7,8-tetrahydro- (9CI);8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propoinic acid; |
Density: | 1.217 g/cm3 |
Boiling Point: | 473.1 °C at 760 mmHg |
Flash Point: | 239.9 °C |
PSA: | 79.73000 |
LogP: | 2.85150 |
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The CAS register number of 8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propoinic acid is 886362-45-4. It also can be called as 1,8-Naphthyridine-7(2H)-propanoicacid, 1-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro- and the systematic name about this chemical is 3-(8-tert-butoxycarbonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)propanoic acid. The molecular formula about this chemical is C16H22N2O4 and molecular weight is 306.36.
Physical properties about 8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propoinic acid are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 0.68; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 79.73Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 80.64 cm3; (9)Molar Volume: 251.6 cm3; (10)Polarizability: 31.97x10-24cm3; (11)Surface Tension: 52.4 dyne/cm; (12)Enthalpy of Vaporization: 77.56 kJ/mol; (13)Boiling Point: 473.1 °C at 760 mmHg; (14)Vapour Pressure: 9.31E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CCc1ccc2CCCN(c2n1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C16H22N2O4/c1-16(2,3)22-15(21)18-10-4-5-11-6-7-12(17-14(11)18)8-9-13(19)20/h6-7H,4-5,8-10H2,1-3H3,(H,19,20)
(3)InChIKey: SNBBUGPPZLKWMD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-4-5-11-6-7-12(17-14(11)18)8-9-13(19)20/h6-7H,4-5,8-10H2,1-3H3,(H,19,20)
(5)Std. InChIKey: SNBBUGPPZLKWMD-UHFFFAOYSA-N