1-Boc-3-hydroxyazetidine - ≥97% , CAS No.141699-55-0

CAS: 141699-55-0 Cat. No.: B119310 Fórmula: C₈H₁₅NO₃ Peso molecular: 173.21 Número EC: 628-534-5

GRADE & PURITY ≥97%

Synonyms

1,1-Dimethylethyl 3-hydroxy-1-azetidinecarboxylate | B2922 | XRRXRQJQQKMFBC-UHFFFAOYSA-N | TERT-BUTYL-3-HYDROXYAZETIDINE-1-CARBOXYLATE | tert-butyl3-hydroxyazetidine-1-carboxylate | 1-t-butoxycarbonyl-3-hydroxyazetidine | n-boc-3-hydroxy azetidine | 1-t-B

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1,1-Dimethylethyl 3-hydroxy-1-azetidinecarboxylate | B2922 | XRRXRQJQQKMFBC-UHFFFAOYSA-N | TERT-BUTYL-3-HYDROXYAZETIDINE-1-CARBOXYLATE | tert-butyl3-hydroxyazetidine-1-carboxylate | 1-t-butoxycarbonyl-3-hydroxyazetidine | n-boc-3-hydroxy azetidine | 1-t-B

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: 504761486
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761486
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC(C1)O
• IUPAC Name: tert-butyl 3-hydroxyazetidine-1-carboxylate
• InChIKey: XRRXRQJQQKMFBC-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h6,10H,4-5H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC(C1)O
• WGK Alemania: 3
• Peso molecular: 173.21
• Reaxy-Rn: 7869546
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7869546&ln=

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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 36-43°C
• Peso molecular: 173.210 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.105 Da
• Monoisotopic Mass: 173.105 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 179.000
• 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