4-((N,N-Dimethylamino)methyl)phenylboronic acid pinacol ester - ≥95% , CAS No.1073371-85-3

CAS: 1073371-85-3 Cat. No.: N187560 Peso molecular: 297.6 Número EC: 806-610-0

GRADE & PURITY ≥95%

Synonyms

AKOS022172768 | 4-(N,N-Dimethylaminomethyl)phenylboronic acid pinacol ester hydrochloride | AS-2567 | Z2768225028 | N,N-Dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine--hydrogen chloride (1/1) | FT-0769641 | dimethyl({[4-(4,4

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS022172768 | 4-(N, N-Dimethylaminomethyl)phenylboronic acid pinacol ester hydrochloride | AS-2567 | Z2768225028 | N, N-Dimethyl-1-[4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl]methanamine--hydrogen chloride (1/1) | FT-0769641 | dimethyl({[4-(4, 4

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504770248
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770248
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(C)C.Cl
• IUPAC Name: N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride
• InChIKey: WQRBUTFEVSUAFF-UHFFFAOYSA-N
• INCHI: 1S/C15H24BNO2.ClH/c1-14(2)15(3,4)19-16(18-14)13-9-7-12(8-10-13)11-17(5)6;/h7-10H,11H2,1-6H3;1H
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(C)C.Cl
• Peso molecular: 297.6
• Reaxy-Rn: 19309264
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19309264&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Dioxaborolanes Boronic acid esters Trialkylamines Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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: 297.600 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 297.167 Da
• Monoisotopic Mass: 297.167 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 293.000
• 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: 2

XLogP3