7-Boc-1,7-diaza-spiro[4.4]nonane - ≥95% , CAS No.646055-63-2

CAS: 646055-63-2 Cat. No.: D185780 Molecular Weight: 226.32 EC Number: 829-577-4

GRADE & PURITY ≥95%

Synonyms

SY026911 | EN300-749611 | FT-0685974 | JMCDKYJLNLUCRX-UHFFFAOYSA-N | DTXSID50624432 | MFCD09266216 | 7-Boc-1,7-diazaspiro[4.4]nonane | 7-Boc-1,7-diaza-spiro[4.4]nonane | AS-36312 | tert-butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate | tert-Butyl 2,6-diazas

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

SY026911 | EN300-749611 | FT-0685974 | JMCDKYJLNLUCRX-UHFFFAOYSA-N | DTXSID50624432 | MFCD09266216 | 7-Boc-1, 7-diazaspiro[4.4]nonane | 7-Boc-1, 7-diaza-spiro[4.4]nonane | AS-36312 | tert-butyl 1, 7-diazaspiro[4.4]nonane-7-carboxylate | tert-Butyl 2, 6-diazas

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC2(C1)CCCN2
• IUPAC Name: tert-butyl 1,7-diazaspiro[4.4]nonane-7-carboxylate
• InChIKey: JMCDKYJLNLUCRX-UHFFFAOYSA-N
• INCHI: 1S/C12H22N2O2/c1-11(2,3)16-10(15)14-8-6-12(9-14)5-4-7-13-12/h13H,4-9H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CCCN2
• Molecular Weight: 226.32
• Reaxy-Rn: 14325236
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14325236&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazaspirononane derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Diazaspirononane derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Diazaspirononane - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Carbamic acid ester - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diazaspirononane derivatives. These are organic heterocyclic compounds that contain a nine-membered saturated bicyclic moiety, consisting of two aliphatic saturated rings in a spiro-configuration, each of which contain a nitrogen atom. The bicyclic moiety is made up of two nitrogen and seven carbon atoms.
• 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: 226.320 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 226.168 Da
• Monoisotopic Mass: 226.168 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 285.000
• 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