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(2-(Pyrrolidin-1-yl)pyrimidin-5-yl)boronic acid - ≥98%, high purity , CAS No.955374-13-7

COA

Grade & Purity:

≥98%

Cas Number: 955374-13-7
Molecular Weight: 193.01
PubChem CID: 53216593

In stock

Item Number

P733238

Grouped product items
SKU	Size	Availability	Price	Qty
P733238-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$279.90
P733238-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$747.90

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	Aminopyrimidines and derivatives Pyrrolidines Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - Aminopyrimidine - Pyrimidine - Heteroaromatic compound - Pyrrolidine - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic heteromonocyclic 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
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

Names and Identifiers

IUPAC Name	(2-pyrrolidin-1-ylpyrimidin-5-yl)boronic acid
INCHI	InChI=1S/C8H12BN3O2/c13-9(14)7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6,13-14H,1-4H2
InChIKey	SNAOVFKQOOJCHK-UHFFFAOYSA-N
Smiles	B(C1=CN=C(N=C1)N2CCCC2)(O)O
Isomeric SMILES	B(C1=CN=C(N=C1)N2CCCC2)(O)O
PubChem CID	53216593
Molecular Weight	193.01

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	193.010 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	193.102 Da
Monoisotopic Mass	193.102 Da
Topological Polar Surface Area	69.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	179.000
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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