tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate - ≥97% , CAS No.1147557-97-8

CAS: 1147557-97-8 Cat. No.: T172151 Peso molecular: 213.277 Número EC: 810-579-9 PubChem CID: 52987765

GRADE & PURITY ≥97%

Synonyms

J-518779 | DTXSID80680960 | 2-Boc-2-azaspiro[3.3]heptan-6-ol | BCP14912 | AU-004/43508087 | 2-Boc-6-hydroxy-2-aza-spiro[3.3]heptane | BBL102076 | SB21648 | Thiophosphate de O,O-dimethyle et de S-((5-methoxy-4-pyronyl)-methyle) [French] | UMXXHZDEAZUQKZ-UH

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

J-518779 | DTXSID80680960 | 2-Boc-2-azaspiro[3.3]heptan-6-ol | BCP14912 | AU-004/43508087 | 2-Boc-6-hydroxy-2-aza-spiro[3.3]heptane | BBL102076 | SB21648 | Thiophosphate de O, O-dimethyle et de S-((5-methoxy-4-pyronyl)-methyle) [French] | UMXXHZDEAZUQKZ-UH

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504771086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771086
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC2(C1)CC(C2)O
• IUPAC Name: tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
• InChIKey: UMXXHZDEAZUQKZ-UHFFFAOYSA-N
• INCHI: 1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h8,13H,4-7H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC2(C1)CC(C2)O
• PubChem CID: 52987765
• Peso molecular: 213.277

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 Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azetidinecarboxylic acid - Carbamic acid ester - Cyclobutanol - Carbonic acid derivative - Secondary alcohol - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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

• Peso molecular: 213.270 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.136 Da
• Monoisotopic Mass: 213.136 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 268.000
• 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