Name: tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
SKU: 1023595-11-0

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Basic Information

Molecular Structure:
CAS No.:	1023595-11-0
Name:	tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
Article Data:	2

Formula:	C₁₃H₂₄N₂O₃
Molecular Weight:	256.345
Synonyms:	1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid, 1,1-dimethylethyl ester;
Density:	1.113 g/cm³
Boiling Point:	365.039 °C at 760 mmHg
Flash Point:	174.57 °C
PSA:	50.80000
LogP:	1.64260

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Specification

The tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate is an organic compound with the formula C₁₃H₂₄N₂O₃. The systematic name of this chemical is tert-butyl 11-oxa-3,8-diazaspiro[5.5]undecane-8-carboxylate. With the CAS registry number 1023595-11-0, it is also named as 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid, 1,1-dimethylethyl ester.

Physical properties about tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate are: (1)ACD/LogP: 1.45; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 50.8 Å²; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 69.3 cm³; (12)Molar Volume: 230.247 cm³; (13)Polarizability: 27.473×10^-24cm³; (14)Surface Tension: 41.59 dyne/cm; (15)Density: 1.113 g/cm³; (16)Flash Point: 174.57 °C; (17)Enthalpy of Vaporization: 61.129 kJ/mol; (18)Boiling Point: 365.039 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCOC2(C1)CCNCC2
(2)InChI: InChI=1/C13H24N2O3/c1-12(2,3)18-11(16)15-8-9-17-13(10-15)4-6-14-7-5-13/h14H,4-10H2,1-3H3
(3)InChIKey: XLEJZQHSRRYDFL-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-8-9-17-13(10-15)4-6-14-7-5-13/h14H,4-10H2,1-3H3
(5)Std. InChIKey: XLEJZQHSRRYDFL-UHFFFAOYSA-N