4-(1-(Benzyloxycarbonylamino)cyclopropyl)phenylboronic acid - ≥96% , CAS No.1217501-09-1

CAS: 1217501-09-1 Cat. No.: B180276 Peso molecular: 311.1 PubChem CID: 46739661

GRADE & PURITY ≥96%

Synonyms

DTXSID20675254 | 1217501-09-1 | 4-(1-(BENZYLOXYCARBONYLAMINO)CYCLOPROPYL)PHENYLBORONIC ACID | Carbamic acid, N-[1-(4-boronophenyl)cyclopropyl]-, C-(phenylmethyl) ester | SCHEMBL15330233 | (4-(1-(((Benzyloxy)carbonyl)amino)cyclopropyl)phenyl)boronicacid |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID20675254 | 1217501-09-1 | 4-(1-(BENZYLOXYCARBONYLAMINO)CYCLOPROPYL)PHENYLBORONIC ACID | Carbamic acid, N-[1-(4-boronophenyl)cyclopropyl]-, C-(phenylmethyl) ester | SCHEMBL15330233 | (4-(1-(((Benzyloxy)carbonyl)amino)cyclopropyl)phenyl)boronicacid |

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=C(C=C1)C2(CC2)NC(=O)OCC3=CC=CC=C3)(O)O
• IUPAC Name: [4-[1-(phenylmethoxycarbonylamino)cyclopropyl]phenyl]boronic acid
• InChIKey: BZKGXPVSQVTDOI-UHFFFAOYSA-N
• INCHI: 1S/C17H18BNO4/c20-16(23-12-13-4-2-1-3-5-13)19-17(10-11-17)14-6-8-15(9-7-14)18(21)22/h1-9,21-22H,10-12H2,(H,19,20)
• Isómeros SMILES: B(C1=CC=C(C=C1)C2(CC2)NC(=O)OCC3=CC=CC=C3)(O)O
• PubChem CID: 46739661
• Peso molecular: 311.1

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: Carbamate esters Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbamic acid ester - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Aromatic homomonocyclic 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: 311.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 311.133 Da
• Monoisotopic Mass: 311.133 Da
• Topological Polar Surface Area: 78.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 399.000
• 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

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