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2-(Cyclohexylmethylamino)pyridine-5-boronic acid pinacol ester , CAS No.1073354-73-0
Discover 2-(Cyclohexylmethylamino)pyridine-5-boronic acid pinacol ester by Aladdin Scientific in for only $117.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
FD10430 | AKOS005259470 | AS-48852 | MFCD09027071 | DTXSID40590379 | 1073354-73-0 | 6-(Cyclohexyl-methylamino)pyridine-3-boronic acid pinacol ester | 2-(Cyclohexylmethylamino)pyridine-5-boronic acid pinacol ester, AldrichCPR | J-001849 | 6-(cyclohexyl(met
Storage Temp
Room temperature
Shipped In
Normal
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
Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Organoheterocyclic compound - Oxacycle - Organic metalloid salt - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Organic oxygen compound - 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
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
N-cyclohexyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
INCHI
InChI=1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)14-11-12-16(20-13-14)21(5)15-9-7-6-8-10-15/h11-13,15H,6-10H2,1-5H3
InChIKey
YTYXLMDYYHVPOF-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N(C)C3CCCCC3
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N(C)C3CCCCC3
PubChem CID
17750240
Molecular Weight
316.25
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
316.200 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
316.232 Da
Monoisotopic Mass
316.232 Da
Topological Polar Surface Area
34.600 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
394.000
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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