tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate supplier

Name
tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
EINECS
CAS No. 1023595-11-0
Article Data2
CAS DataBase
Density 1.113 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₄N₂O₃
Boiling Point 365.039 °C at 760 mmHg
Molecular Weight 256.345
Flash Point 174.57 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylic acid, 1,1-dimethylethyl ester;
PSA 50.80000
LogP 1.64260

tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate 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

Product Name

tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate

tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate Specification

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