4-(N,N-DiMethylaMino)Phenylboronic Acid Hydrochloride - ≥97% , CAS No.1150114-73-0

CAS: 1150114-73-0 Cat. No.: N189806 Molecular Weight: 201.45832

GRADE & PURITY ≥97%

Synonyms

(4-(DIMETHYLAMINO)PHENYL)BORONIC ACID HCL | AKOS015893820 | (4-(Dimethylamino)phenyl)boronic acid hydrochloride | Boronic acid, B-[4-(dimethylamino)phenyl]-, hydrochloride (1:1) | 4-(DIMETHYLAMINO)PHENYLBORONIC ACID, HCL | DTXSID80660580 | 4-(Dimethylamin

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(4-(DIMETHYLAMINO)PHENYL)BORONIC ACID HCL | AKOS015893820 | (4-(Dimethylamino)phenyl)boronic acid hydrochloride | Boronic acid, B-[4-(dimethylamino)phenyl]-, hydrochloride (1:1) | 4-(DIMETHYLAMINO)PHENYLBORONIC ACID, HCL | DTXSID80660580 | 4-(Dimethylamin

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201095
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201095
• Canonical Smiles: B(C1=CC=C(C=C1)N(C)C)(O)O.Cl
• IUPAC Name: [4-(dimethylamino)phenyl]boronic acid;hydrochloride
• InChIKey: JZMHULQJOBVQRI-UHFFFAOYSA-N
• INCHI: 1S/C8H12BNO2.ClH/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6,11-12H,1-2H3;1H
• Isomeric SMILES: B(C1=CC=C(C=C1)N(C)C)(O)O.Cl
• Molecular Weight: 201.45832
• Reaxy-Rn: 31054382
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31054382&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organic metalloid moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 201.460 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.073 Da
• Monoisotopic Mass: 201.073 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 133.000
• 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

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