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

Name
TERT-BUTYL 1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE
EINECS
CAS No. 930785-40-3
Article Data8
CAS DataBase
Density 1.113g/cm³
Solubility
Melting Point
Formula C₁₃H₂₄N₂O₃
Boiling Point 364.211 °C at 760 mmHg
Molecular Weight 256.345
Flash Point 174.069 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester;
PSA 50.80000
LogP 1.64260

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

The tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate with cas registry number of 930785-40-3, is also called 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester .

Physical properties of tert-Butyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate : (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 5.475; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 50.8 Å²; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 69.3 cm³; (13)Molar Volume: 230.247 cm³; (14)Polarizability: 27.473×10^-24cm³; (15)Surface Tension: 41.59 dyne/cm; (16)Enthalpy of Vaporization: 61.036 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:CC(C)(C)OC(=O)N1CCC2(CC1)CNCCO2; (2)InChI:InChI=1/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-14-6-9-17-13/h14H,4-10H2,1-3H3; (3)InChIKey:FRROFBJYHIEDPS-UHFFFAOYAM ; (4)Std. InChI:InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-4-13(5-8-15)10-14-6-9-17-13/h14H,4-10H2,1-3H3; (5)Std. InChIKey:FRROFBJYHIEDPS-UHFFFAOYSA-N.

Product Name

TERT-BUTYL 1-OXA-4,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATE

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

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