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4-Cyclopentylpyrimidine-5-boronic acid - 95%, high purity , CAS No.1072945-80-2
Discover 4-Cyclopentylpyrimidine-5-boronic acid by Aladdin Scientific in 95% for only $1,038.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1072945-80-2 | (4-cyclopentylpyrimidin-5-yl)boronic acid | 4-Cyclopentylpyrimidine-5-boronic acid | (4-cyclopentylpyrimidin-5-yl)boronicacid | DTXSID80674506 | MFCD10699617 | AKOS006302531 | SB57530 | BS-22545 | CS-0175302 | A895584
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidines and pyrimidine derivatives
Alternative Parents
Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
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
IUPAC Name
(4-cyclopentylpyrimidin-5-yl)boronic acid
INCHI
InChI=1S/C9H13BN2O2/c13-10(14)8-5-11-6-12-9(8)7-3-1-2-4-7/h5-7,13-14H,1-4H2
InChIKey
YUKOTZWYXJYXSS-UHFFFAOYSA-N
Smiles
B(C1=CN=CN=C1C2CCCC2)(O)O
Isomeric SMILES
B(C1=CN=CN=C1C2CCCC2)(O)O
PubChem CID
46738855
Molecular Weight
192
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
192.030 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
192.107 Da
Monoisotopic Mass
192.107 Da
Topological Polar Surface Area
66.200 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
186.000
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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