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3-(1-Piperidylmethyl)aniline - ≥95%, high purity , CAS No.93138-55-7

COA

Grade & Purity:

≥95%

Cas Number: 93138-55-7
Molecular Weight: 190.29
PubChem CID: 6484331

In stock

Item Number

A709923

Grouped product items
SKU	Size	Availability	Price	Qty
A709923-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
A709923-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$412.90

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 Aniline and substituted anilines Aralkylamines Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Primary amine - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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	3-(piperidin-1-ylmethyl)aniline
INCHI	InChI=1S/C12H18N2/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2
InChIKey	SEJNYLBEEMVJNN-UHFFFAOYSA-N
Smiles	C1CCN(CC1)CC2=CC(=CC=C2)N
Isomeric SMILES	C1CCN(CC1)CC2=CC(=CC=C2)N
PubChem CID	6484331
Molecular Weight	190.29

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.280 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	190.147 Da
Monoisotopic Mass	190.147 Da
Topological Polar Surface Area	29.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	164.000
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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