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1-Benzylpiperidin-4-Amine Dihydrochloride - ≥98%, high purity , CAS No.1205-72-7

COA

Grade & Purity:

≥98%

Cas Number: 1205-72-7
Molecular Weight: 263.21
PubChem CID: 12594483

In stock

Item Number

B726944

Grouped product items
SKU	Size	Availability	Price	Qty
B726944-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
B726944-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Benzylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Benzylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzylpiperidines
Alternative Parents	Phenylmethylamines Benzylamines Aralkylamines Aminopiperidines Trialkylamines Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylpiperidine - Benzylamine - Phenylmethylamine - 4-aminopiperidine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-benzylpiperidin-4-amine;dihydrochloride
INCHI	InChI=1S/C12H18N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12H,6-10,13H2;2*1H
InChIKey	RDEUNWFXSVDHCI-UHFFFAOYSA-N
Smiles	C1CN(CCC1N)CC2=CC=CC=C2.Cl.Cl
Isomeric SMILES	C1CN(CCC1N)CC2=CC=CC=C2.Cl.Cl
PubChem CID	12594483
Molecular Weight	263.21

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	263.200 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	262.1 Da
Monoisotopic Mass	262.1 Da
Topological Polar Surface Area	29.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	156.000
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	3

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