N-Boc-1-oxa-8-azaspiro[4.5]decan-3-ol - ≥97% , CAS No.240401-09-6

CAS: 240401-09-6 Cat. No.: T175863 Molecular Weight: 257.33 EC Number: 676-417-2 PubChem CID: 22744549

GRADE & PURITY ≥97%

Synonyms

DTXSID10628012 | MFCD09749842 | 1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid,3-hydroxy-,1,1-dimethylethyl ester | 8-Boc-3-hydroxy-1-oxa-8-azaspiro[4.5]decane | SCHEMBL897951 | Z1505698877 | 1-Oxa-8-azaspiro[4.5]decane-8-carboxylicacid, 3-hydroxy-, 1,1-di

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID10628012 | MFCD09749842 | 1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-hydroxy-, 1, 1-dimethylethyl ester | 8-Boc-3-hydroxy-1-oxa-8-azaspiro[4.5]decane | SCHEMBL897951 | Z1505698877 | 1-Oxa-8-azaspiro[4.5]decane-8-carboxylicacid, 3-hydroxy-, 1, 1-di

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)O
• IUPAC Name: tert-butyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
• InChIKey: HCDWHGFENXBNSC-UHFFFAOYSA-N
• 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
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)O
• PubChem CID: 22744549
• Molecular Weight: 257.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azaspirodecane derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azaspirodecane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azaspirodecane derivatives
• Alternative Parents: Piperidinecarboxylic acids Oxolanes Carbamate esters Secondary alcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azaspirodecane - Piperidinecarboxylic acid - Piperidine - Oxolane - Carbamic acid ester - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 257.329 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 257.163 Da
• Monoisotopic Mass: 257.163 Da
• Topological Polar Surface Area: 59.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 315.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1