benzyl 3-aminoazetidine-1-carboxylate - ≥97% , CAS No.112257-20-2

CAS: 112257-20-2 Cat. No.: B172077 Peso molecular: 206.24 Número EC: 809-973-3

GRADE & PURITY ≥97%

Synonyms

FT-0657784 | 3-AMINO-1-AZETIDINECARBOXYLIC ACID PHENYLMETHYL ESTER | DS-13094 | DTXSID60585747 | SY042012 | BENZYL 3-AMINOAZETIDINE-1-CARBOXYLATE | 3-AMINOMETHYL-AZETIDINE-1-CARBOXYLIC ACID BENZYL ESTER | AM20020209 | BBL103214 | STL557024 | 1-Cbz-3-amino

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

FT-0657784 | 3-AMINO-1-AZETIDINECARBOXYLIC ACID PHENYLMETHYL ESTER | DS-13094 | DTXSID60585747 | SY042012 | BENZYL 3-AMINOAZETIDINE-1-CARBOXYLATE | 3-AMINOMETHYL-AZETIDINE-1-CARBOXYLIC ACID BENZYL ESTER | AM20020209 | BBL103214 | STL557024 | 1-Cbz-3-amino

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

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: 488199364
• Sonrisas canónicas: C1C(CN1C(=O)OCC2=CC=CC=C2)N
• IUPAC Name: benzyl 3-aminoazetidine-1-carboxylate
• InChIKey: BSYBBTZXKIYFRW-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2O2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
• Isómeros SMILES: C1C(CN1C(=O)OCC2=CC=CC=C2)N
• Peso molecular: 206.24
• Reaxy-Rn: 31240199
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31240199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Azetidinecarboxylic acids Carbamate esters Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Azetidinecarboxylic acid - Carbamic acid ester - Azetidine - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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: 206.240 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 206.106 Da
• Monoisotopic Mass: 206.106 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 221.000
• 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