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3-(Dimethylamino)phenylboronic Acid Hydrochloride (contains varying amounts of Anhydride) - 98%, high purity , CAS No.1256355-23-3
Basic Description
Synonyms
DTXSID70660579 | 3-DIMETHYLAMINOPHENYLBORONIC ACID HYDROCHLORIDE | (3-(Dimethylamino)phenyl)boronic acid hydrochloride | [3-(Dimethylamino)phenyl]boronic acid--hydrogen chloride (1/1) | Alkamide L-203 | EN300-7370257 | AMY7914 | DS-0838 | AKOS015846407 |
Specifications & Purity
≥98%
Shipped In
Normal
Product Description
contains varying amounts of Anhydride
Taxonomic Classification
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.
Names and Identifiers
Pubchem Sid
504770473
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770473
IUPAC Name
[3-(dimethylamino)phenyl]boronic acid;hydrochloride
INCHI
InChI=1S/C8H12BNO2.ClH/c1-10(2)8-5-3-4-7(6-8)9(11)12;/h3-6,11-12H,1-2H3;1H
InChIKey
QDYZZIRCCVRLBI-UHFFFAOYSA-N
Smiles
B(C1=CC(=CC=C1)N(C)C)(O)O.Cl
Isomeric SMILES
B(C1=CC(=CC=C1)N(C)C)(O)O.Cl
Molecular Weight
201.46
Reaxy-Rn
45304622
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45304622&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water
Sensitivity
Hygroscopic
Molecular Weight
201.460 g/mol
XLogP3
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
141.000
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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E1723021