-
Name
tert-Butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
- EINECS
- CAS No. 1151665-15-4
- Density 1.223 g/cm3
- Solubility
- Melting Point
- Formula C13H17ClN2O2
- Boiling Point 372.861 °C at 760 mmHg
- Molecular Weight 268.743
- Flash Point 179.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms tert-Butyl 2-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;
- PSA 42.43000
- LogP 2.96610
tert-Butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate Specification
The tert-butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate, with its CAS registry number 1151665-15-4, has its systematic name of tert-butyl 2-chloro-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate. And this chemical has its molecular formula of C13H17ClN2O2 and molecular weight of 268.74. Besides, it should be kept in the cool and dry place.
Physical properties of tert-butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.386; (4)ACD/LogD (pH 7.4): 2.386; (5)ACD/BCF (pH 5.5): 38.304; (6)ACD/BCF (pH 7.4): 38.304; (7)ACD/KOC (pH 5.5): 473.04; (8)ACD/KOC (pH 7.4): 473.046; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 69.795 cm3; (15)Molar Volume: 219.681 cm3; (16)Polarizability: 27.669×10-24cm3; (17)Surface Tension: 46.505 dyne/cm; (18)Density: 1.223 g/cm3; (19)Flash Point: 179.3 °C; (20)Enthalpy of Vaporization: 62.006 kJ/mol; (21)Boiling Point: 372.861 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)(C)OC(=O)N1CCc2c(ccc(n2)Cl)C1
(2)Std. InChI:InChI=1S/C13H17ClN2O2/c1-13(2,3)18-12(17)16-7-6-10-9(8-16)4-5-11(14)15-10/h4-5H,6-8H2,1-3H3
(3)Std. InChIKey:LPZHKCVGWZFNDC-UHFFFAOYSA-N
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