Tert-butyl 1,6-diazaspiro[3.4]octane-1-carboxylate - ≥97% , CAS No.1148044-31-8

CAS: 1148044-31-8 Cat. No.: T626992 Molecular Weight: 212.29 EC Number: 967-976-6 PubChem CID: 56962149

GRADE & PURITY ≥97%

Synonyms

1-N-BOC-1,6-DIAZA-SPIRO[3.4]OCTANE | SCHEMBL24491096 | 1-BOC-1,6-DIAZASPIRO[3.4]OCTANE | PB31643 | tert-Butyl1,6-diazaspiro[3.4]octane-1-carboxylate | EN300-106341 | AS-30022 | 1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER | AKOS016

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1-N-BOC-1, 6-DIAZA-SPIRO[3.4]OCTANE | SCHEMBL24491096 | 1-BOC-1, 6-DIAZASPIRO[3.4]OCTANE | PB31643 | tert-Butyl1, 6-diazaspiro[3.4]octane-1-carboxylate | EN300-106341 | AS-30022 | 1, 6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLIC ACID, 1, 1-DIMETHYLETHYL ESTER | AKOS016

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, 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)N1CCC12CCNC2
• IUPAC Name: tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate
• InChIKey: OJDKDBHLSUSOBW-UHFFFAOYSA-N
• INCHI: 1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-5-11(13)4-6-12-8-11/h12H,4-8H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC12CCNC2
• Alternate CAS: 1148044-31-8
• PubChem CID: 56962149
• Molecular Weight: 212.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azetidines
      • Subclass Azetidinecarboxylic acids or derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Pyrrolidines Carbamate esters Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azetidinecarboxylic acid - Pyrrolidine - Carbamic acid ester - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 212.290 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 212.152 Da
• Monoisotopic Mass: 212.152 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 272.000
• 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