tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate supplier

Name
tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
EINECS
CAS No. 169206-67-1
Article Data13
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₂N₂O₃
Boiling Point 424.873 °C at 760 mmHg
Molecular Weight 254.329
Flash Point 210.756 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-2-propanyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;
PSA 58.64000
LogP 1.79030

tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate Specification

The tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate, with the CAS registry number 169206-67-1, is also known as 2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₁₃H₂₂N₂O₃ and molecular weight is 254.33. What's more, its systematic name is called 2-Methyl-2-propanyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Physical properties about tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate are: (1)ACD/LogP: -0.025; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 23.09; (8)ACD/KOC (pH 7.4): 23.09; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.64 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 67.674 cm³; (15)Molar Volume: 221.067 cm³; (16)Polarizability: 26.828×10^-24cm³; (17)Surface Tension: 44.054 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 210.756 °C; (20)Enthalpy of Vaporization: 67.943 kJ/mol; (21)Boiling Point: 424.873 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N2CCC1(CC(=O)NC1)CC2
(2) InChI: InChI=1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-13(5-7-15)8-10(16)14-9-13/h4-9H2,1-3H3,(H,14,16)
(3) InChIKey: HNMWIKVFYHYBKX-UHFFFAOYSA-N

Product Name

tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-Butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate Specification

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