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8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propoinic acid

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Name

8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propoinic acid

EINECS N/A
CAS No. 886362-45-4 Density 1.217 g/cm3
PSA 79.73000 LogP 2.85150
Solubility N/A Melting Point N/A
Formula C16H22N2O4 Boiling Point 473.1 °C at 760 mmHg
Molecular Weight 306.362 Flash Point 239.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 886362-45-4 (8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPOINIC ACID) Hazard Symbols N/A
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;

Article Data 2

8-N-Boc-5,6,7,8-Tetrahydro-1,8-naphthyridin-2-propoinic acid Specification

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

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