N-Boc-1-oxa-8-azaspiro[4.5]decan-3-ol supplier

Name
N-BOC-1-OXA-8-AZA-SPIRO[4.5]DECAN-3-OL
EINECS
CAS No. 240401-09-6
Article Data7
CAS DataBase
Density 1.166 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₃NO₄
Boiling Point 390.991 °C at 760 mmHg
Molecular Weight 257.33
Flash Point 190.265 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Boc-1-oxa-8-azaspiro[4.5]decan-3-ol;3-Hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester;
PSA 59.00000
LogP 1.47520

N-Boc-1-oxa-8-azaspiro[4.5]decan-3-ol Specification

The CAS register number of N-Boc-1-oxa-8-azaspiro[4.5]decan-3-ol is 240401-09-6. It also can be called as 3-Hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid tert-butyl ester and the IUPAC name about this chemical is tert-butyl 2-hydroxy-4-oxa-8-azaspiro[4.5]decane-8-carboxylate. The molecular formula about this chemical is C₁₃H₂₃NO₄and the molecular weight is 257.33.

Physical properties about N-Boc-1-oxa-8-azaspiro[4.5]decan-3-ol are: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 46; (7)ACD/KOC (pH 7.4): 46; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 59 Å²; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 67.161 cm³; (14)Molar Volume: 220.665 cm³; (15)Polarizability: 26.625x10^-24cm³; (16)Surface Tension: 44.967 dyne/cm; (17)Enthalpy of Vaporization: 74.064 kJ/mol; (18)Boiling Point: 390.991 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)CO2
(2)InChI: InChI=1/C13H23NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h10,15H,4-9H2,1-3H3
(3)InChIKey: HCDWHGFENXBNSC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h10,15H,4-9H2,1-3H3
(5)Std. InChIKey: HCDWHGFENXBNSC-UHFFFAOYSA-N

Product Name

N-BOC-1-OXA-8-AZA-SPIRO[4.5]DECAN-3-OL

N-Boc-1-oxa-8-azaspiro[4.5]decan-3-ol Specification

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