1,4-Dioxa-8-azaspiro[4.5]decane-8-carboxylicacid, 1,1-dimethylethyl ester supplier

Name
4,4-(ETHYLENEDIOXY)-1-TERT-BUTOXYCARBONYLPIPERIDINE
EINECS
CAS No. 123387-51-9
Article Data15
CAS DataBase
Density 1.145 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₄
Boiling Point 330.826 °C at 760 mmHg
Molecular Weight 243.303
Flash Point 153.878 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-tert-Butoxycarbonyl-4-piperidoneethylene ketal;4,4-(Ethylenedioxy)-1-tert-butoxycarbonylpiperidine;8-(tert-Butoxycarbonyl)-1,4-dioxa-8-azaspiro[4.5]decane;N-Boc-1,4-dioxa-8-aza-spiro[4.5]decane;
PSA 48.00000
LogP 1.69830

1,4-Dioxa-8-azaspiro[4.5]decane-8-carboxylicacid, 1,1-dimethylethyl ester Specification

The 1,4-Dioxa-8-azaspiro[4.5]decane-8-carboxylicacid, 1,1-dimethylethyl ester, with the CAS registry number 123387-51-9, is also known as 4,4-(Ethylenedioxy)-1-tert-butoxycarbonylpiperidine. It belongs to the product category of Heterocycles series. This chemical's molecular formula is C₁₂H₂₁NO₄ and molecular weight is 243.30. What's more, its systematic name is tert-butyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Physical properties of 1,4-Dioxa-8-azaspiro[4.5]decane-8-carboxylicacid, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110; (8)ACD/KOC (pH 7.4): 110; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 62.759 cm³; (15)Molar Volume: 212.478 cm³; (16)Polarizability: 24.88×10^-24 cm³; (17)Surface Tension: 40.713 dyne/cm; (18)Density: 1.145 g/cm³; (19)Flash Point: 153.878 °C; (20)Enthalpy of Vaporization: 57.344 kJ/mol; (21)Boiling Point: 330.826 °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)N1CCC2(CC1)OCCO2
(2)InChI: InChI=1/C12H21NO4/c1-11(2,3)17-10(14)13-6-4-12(5-7-13)15-8-9-16-12/h4-9H2,1-3H3
(3)InChIKey: IRDYCXRTVGCLGY-UHFFFAOYAC

Product Name

4,4-(ETHYLENEDIOXY)-1-TERT-BUTOXYCARBONYLPIPERIDINE

1,4-Dioxa-8-azaspiro[4.5]decane-8-carboxylicacid, 1,1-dimethylethyl ester Specification

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