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| CAS No.: | 189333-03-7 |
|---|---|
| Name: | TERT-BUTYL 2,9-DIAZASPIRO[5.5]UNDECANE-2-CARBOXYLATE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C14H26N2O2 |
| Molecular Weight: | 254.373 |
| Synonyms: | tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate; tert-Butyl-2,9-diazaspiro[5.5]undecan-2-carboxylat |
| Density: | 1.058 g/cm3 |
| Boiling Point: | 354.137 °C at 760 mmHg |
| Flash Point: | 167.977 °C |
| PSA: | 41.57000 |
| LogP: | 2.65380 |
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Specification
The 2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 1,1-dimethylethyl ester, with the CAS registry number 189333-03-7, is also known as 2-Methyl-2-propanyl 2,9-diazaspiro[5.5]undecane-2-carboxylate. This chemical's molecular formula is C14H26N2O2 and molecular weight is 254.37. What's more, its IUPAC name is called tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate.
Physical properties about 2,9-Diazaspiro[5.5]undecane-2-carboxylic acid, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.021; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.08; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 72.189 cm3; (15)Molar Volume: 240.372 cm3; (16)Polarizability: 28.618×10-24cm3; (17)Surface Tension: 39.983 dyne/cm; (18)Density: 1.058 g/cm3; (19)Flash Point: 167.977 °C; (20)Enthalpy of Vaporization: 59.914 kJ/mol; (21)Boiling Point: 354.137 °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)N1CCCC2(C1)CCNCC2
(2) InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-4-5-14(11-16)6-8-15-9-7-14/h15H,4-11H2,1-3H3
(3) InChIKey: UTFBOGXIVNMTCO-UHFFFAOYSA-N