tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate hemioxalate - ≥97% , CAS No.1523618-36-1

CAS: 1523618-36-1 Cat. No.: T629578 Molecular Weight: 570.72 PubChem CID: 91663914

GRADE & PURITY ≥97%

Synonyms

1523618-36-1 | tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate hemioxalate | tert-Butyl 1,8-diazaspiro[4.5]decane-8-carboxylate oxalate(2:1) | 8-Boc-1,8-diazaspiro[4.5]decane hemioxalate | tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate | oxalic aci

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1523618-36-1 | tert-butyl 1, 8-diazaspiro[4.5]decane-8-carboxylate hemioxalate | tert-Butyl 1, 8-diazaspiro[4.5]decane-8-carboxylate oxalate(2:1) | 8-Boc-1, 8-diazaspiro[4.5]decane hemioxalate | tert-butyl 1, 8-diazaspiro[4.5]decane-8-carboxylate | oxalic aci

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

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(CCCN2)CC1.CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1.C(=O)(C(=O)O)O
• IUPAC Name: tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate;oxalic acid
• InChIKey: BGFMXHGODSWFMS-UHFFFAOYSA-N
• INCHI: 1S/2C13H24N2O2.C2H2O4/c2*1-12(2,3)17-11(16)15-9-6-13(7-10-15)5-4-8-14-13;3-1(4)2(5)6/h2*14H,4-10H2,1-3H3;(H,3,4)(H,5,6)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1.CC(C)(C)OC(=O)N1CCC2(CCCN2)CC1.C(=O)(C(=O)O)O
• PubChem CID: 91663914
• Molecular Weight: 570.72

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 Dicarboxylic acids and derivatives Pyrrolidines Carbamate esters Tertiary amines Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Azaspirodecane - Piperidinecarboxylic acid - Dicarboxylic acid or derivatives - Piperidine - Pyrrolidine - Carbamic acid ester - Tertiary amine - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - 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: 570.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 570.363 Da
• Monoisotopic Mass: 570.363 Da
• Topological Polar Surface Area: 158.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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