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2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid, pinacol ester - 95%, high purity , CAS No.1256360-61-8
Discover 2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid, pinacol ester by Aladdin Scientific in 95% for only $166.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1256360-61-8 | N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopentanamine | 2-(Cyclopentylamino)methyl-5-fluorophenylboronic acid, pinacol ester | N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Fluorobenzenes Aralkylamines Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Dialkylamines Organopnictogen compounds Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Oxacycle - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic metalloid moeity - Amine - Organofluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
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-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine
INCHI
InChI=1S/C18H27BFNO2/c1-17(2)18(3,4)23-19(22-17)16-11-14(20)10-9-13(16)12-21-15-7-5-6-8-15/h9-11,15,21H,5-8,12H2,1-4H3
InChIKey
HYTRIBUOMWRGCY-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)CNC3CCCC3
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)CNC3CCCC3
PubChem CID
53217291
Molecular Weight
319.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
319.200 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
319.212 Da
Monoisotopic Mass
319.212 Da
Topological Polar Surface Area
30.500 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
396.000
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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