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CAS No.: | 1150618-17-9 |
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Name: | Di-tert-Butyl 2,6-diazaspiro[3.3]heptane-2,6-dicarboxylate |
Molecular Structure: | |
Formula: | C15H26N2O4 |
Molecular Weight: | 298.38 |
Synonyms: | 2,6-diazaspiro[3.3]heptane-2,6-dicarboxylic acid, bis(1,1-dimethylethyl) ester; |
Density: | 1.15 g/cm3 |
Boiling Point: | 379 °C at 760 mmHg |
Flash Point: | 183 °C |
PSA: | 59.08000 |
LogP: | 2.35000 |
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The IUPAC name of this chemical is Di-tert-Butyl 2,6-diazaspiro[3.3]heptane-2,6-dicarboxylate. With the CAS registry number 1150618-17-9, it is also named as 2,6-Diazaspiro[3.3]heptane-2,6-dicarboxylic acid,bis(1,1-dimethylethyl) ester. In addition, the molecular formula is C15H26N2O4 and the molecular weight is 298.38.
Physical properties about this chemical are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 1.74 ; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 59.08 Å2; (7)Index of Refraction: 1.521; (8)Molar Refractivity: 78.91 cm3; (9)Molar Volume: 258.9 cm3; (10)Polarizability: 31.28 ×10-24cm3; (11)Surface Tension: 43.3 dyne/cm; (12)Density: 1.15 g/cm3; (13)Flash Point: 183 °C; (14)Enthalpy of Vaporization: 62.7 kJ/mol; (15)Boiling Point: 379 °C at 760 mmHg; (16)Vapour Pressure: 6.02E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC2(C1)CN(C2)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H26N2O4/c1-13(2,3)20-11(18)16-7-15(8-16)9-17(10-15)12(19)21-14(4,5)6/h7-10H2,1-6H3
(3)InChIKey: ONCGJNFACJSGIN-UHFFFAOYAJ