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4-(2,4-Difluorobenzyl)piperidine hydrochloride - 97%, high purity , CAS No.333985-60-7
Discover 4-(2,4-Difluorobenzyl)piperidine hydrochloride by Aladdin Scientific in 97% for only $615.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
4-benzylpiperidines
Alternative Parents
Fluorobenzenes Aralkylamines Aryl fluorides Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-benzylpiperidine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
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-[(2,4-difluorophenyl)methyl]piperidine;hydrochloride
INCHI
InChI=1S/C12H15F2N.ClH/c13-11-2-1-10(12(14)8-11)7-9-3-5-15-6-4-9;/h1-2,8-9,15H,3-7H2;1H
InChIKey
KKDMJHWEHOFKGC-UHFFFAOYSA-N
Smiles
C1CNCCC1CC2=C(C=C(C=C2)F)F.Cl
Isomeric SMILES
C1CNCCC1CC2=C(C=C(C=C2)F)F.Cl
PubChem CID
18539136
Molecular Weight
247.71
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
247.710 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
247.094 Da
Monoisotopic Mass
247.094 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
192.000
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
2
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