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1-(3-Chloro-4-methylphenyl)piperidine - 96%, high purity , CAS No.1000339-31-0

COA

Grade & Purity:

≥96%

Cas Number: 1000339-31-0
Molecular Weight: 209.7
PubChem CID: 26967047

In stock

Item Number

C178648

Grouped product items
SKU	Size	Availability	Price	Qty
C178648-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
C178648-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,117.90

Basic Description

Synonyms	1-(3-Chloro-4-methylphenyl)piperidine \| 1000339-31-0 \| DTXSID20650344 \| MFCD09878387 \| AKOS015848947 \| SB43269 \| BS-18989 \| Piperidine, 1-(3-chloro-4-methylphenyl)- \| CS-0205812
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Phenylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperidines
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Aminotoluenes Chlorobenzenes Aryl chlorides Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
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-(3-chloro-4-methylphenyl)piperidine
INCHI	InChI=1S/C12H16ClN/c1-10-5-6-11(9-12(10)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKey	BVTFSKQEMUXBLP-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)N2CCCCC2)Cl
Isomeric SMILES	CC1=C(C=C(C=C1)N2CCCCC2)Cl
Molecular Weight	209.7
Reaxy-Rn	47843004
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47843004&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	209.710 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	209.097 Da
Monoisotopic Mass	209.097 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177.000
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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