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6-Amino-3-(4-t-butylphenyl)picolinic acid - 97%, high purity , CAS No.1261913-25-0
Discover 6-Amino-3-(4-t-butylphenyl)picolinic acid by Aladdin Scientific in 97% for only $1,498.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1261913-25-0 | 6-Amino-3-(4-t-butylphenyl)picolinic acid | 6-Amino-3-(4-(tert-butyl)phenyl)picolinic acid | 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid | 6-Amino-3-(4-(tert-butyl)phenyl)picolinicacid | DTXSID50692616 | MFCD18323587 | AKOS015854647 | BS-20173
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Pyridinecarboxylic acids Phenylpropanes Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyridine - Phenylpropane - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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
6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid
INCHI
InChI=1S/C16H18N2O2/c1-16(2,3)11-6-4-10(5-7-11)12-8-9-13(17)18-14(12)15(19)20/h4-9H,1-3H3,(H2,17,18)(H,19,20)
InChIKey
IZXQXFLABGLKCR-UHFFFAOYSA-N
Smiles
CC(C)(C)C1=CC=C(C=C1)C2=C(N=C(C=C2)N)C(=O)O
Isomeric SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(N=C(C=C2)N)C(=O)O
PubChem CID
53229431
Molecular Weight
270.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
270.330 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
270.137 Da
Monoisotopic Mass
270.137 Da
Topological Polar Surface Area
76.200 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
343.000
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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