2-azaspiro[3.4]octane - ≥97% , CAS No.665-41-8

CAS: 665-41-8 Cat. No.: A682721 Summenformel: C₇H₁₃N Molekulargewicht: 111.18

QUALITÄT & REINHEIT ≥97%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Spezifikationen

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

C1CCC2(C1)CNC2

IUPAC Name

2-azaspiro[3.4]octane

InChIKey

PSNDWZOXFDKLLH-UHFFFAOYSA-N

INCHI

1S/C7H13N/c1-2-4-7(3-1)5-8-6-7/h8H,1-6H2

Isomere SMILES

C1CCC2(C1)CNC2

Alternative CAS-Nummer

1414885-15-6

Molekulargewicht

111.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azetidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidines
• Alternative Parents: Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azetidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as azetidines. These are organic compounds containing a saturated four-member heterocycle where one nitrogen atom replaces a carbon 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 111.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 111.105 Da
• Monoisotopic Mass: 111.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.600
• 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: 1