tert-Butyl 2,6-Diazaspiro[3.3]heptane-2-carboxylate - ≥90% , CAS No.1041026-70-3

CAS: 1041026-70-3 Cat. No.: T405203 Peso molecular: 198.27 Número EC: 888-556-8 PubChem CID: 40151981

GRADE & PURITY ≥90%

Synonyms

BCP31327 | tert-butyl2,6-diazaspiro[3.3]heptane-2-carboxylate | 1041026-70-3 | MFCD11226963 | tert-butyl 2,6-diazaspiro[3,3]heptane-6-carboxylate | J-524421 | EN300-200385 | SY012277 | AKOS005266576 | FT-0652242 | SCHEMBL421751 | N-boc-2,6-diazaspiro[3.3]

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BCP31327 | tert-butyl2, 6-diazaspiro[3.3]heptane-2-carboxylate | 1041026-70-3 | MFCD11226963 | tert-butyl 2, 6-diazaspiro[3, 3]heptane-6-carboxylate | J-524421 | EN300-200385 | SY012277 | AKOS005266576 | FT-0652242 | SCHEMBL421751 | N-boc-2, 6-diazaspiro[3.3]

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 504770146
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770146
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC2(C1)CNC2
• IUPAC Name: tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate
• InChIKey: KVOUHLVOTMOJBS-UHFFFAOYSA-N
• INCHI: 1S/C10H18N2O2/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10/h11H,4-7H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC2(C1)CNC2
• PubChem CID: 40151981
• Peso molecular: 198.27
• Reaxy-Rn: 19001642

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Carbamate esters Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azetidinecarboxylic acid - Carbamic acid ester - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive,Heat Sensitive,Moisture sensitive
• Peso molecular: 198.260 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.137 Da
• Monoisotopic Mass: 198.137 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 245.000
• 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: 1