-
Name
5-tert-butyl 2-methyl 6,7-dihydrooxazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
- EINECS
- CAS No. 259809-74-0
- Article Data5
- CAS DataBase
- Density 1.235g/cm3
- Solubility
- Melting Point
- Formula C13H18N2O5
- Boiling Point 395.6 °C at 760 mmHg
- Molecular Weight 282.296
- Flash Point 193.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-tert-butyl 2-methyl 6,7-dihydrooxazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate;5-tert-butyl 2-Methyl 4H,5H,6H,7H-[1,3]oxazolo[5,4-c]pyridine-2,5-dicarboxylate;5-tert-butyl 2-ethyl 6,7-dihydrooxazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate
- PSA 81.87000
- LogP 1.69230
5-tert-Butyl 2-methyl 6,7-dihydrooxazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate Specification
The 5-tert-Butyl 2-methyl 6,7-dihydrooxazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate with cas registry number of 259809-74-0, its systematic name is 5-tert-butyl 2-methyl 6,7-dihydro[1,3]oxazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate. And this chemical
belongs to the following product categorie: chiral chemicals.
Physical properties about this chemical are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.88; (6)ACD/BCF (pH 7.4): 20.88; (7)ACD/KOC (pH 5.5): 306.43; (8)ACD/KOC (pH 7.4): 306.43; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.87 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 68.97 cm3; (15)Molar Volume: 228.4 cm3; (16)Polarizability: 27.34×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Enthalpy of Vaporization: 64.58 kJ/mol; (19)Vapour Pressure: 1.81E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:CC(C)(C)OC(=O)N1CCc2nc(oc2C1)C(=O)OC; (2)InChI:InChI=1/C13H18N2O5/c1-13(2,3)20-12(17)15-6-5-8-9(7-15)19-10(14-8)11(16)18-4/h5-7H2,1-4H3; (3)InChIKey:KGJYESYHOXEPJS-UHFFFAOYAM; (4)Std. InChI:InChI=1S/C13H18N2O5/c1-13(2,3)20-12(17)15-6-5-8-9(7-15)19-10(14-8)11(16)18-4/h5-7H2,1-4H3; (5)Std. InChIKey:KGJYESYHOXEPJS-UHFFFAOYSA-N.
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