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1-(3-Chloropropyl)-4-methylpiperazine - 95%, high purity , CAS No.104-16-5

COA

Grade & Purity:

≥95%

Cas Number: 104-16-5
Molecular Weight: 176.7
PubChem CID: 66906
PubChem SID: 488183874

In stock

Item Number

C178996

Grouped product items
SKU	Size	Availability	Price
C178996-100mg	100mg	3	$13.90
C178996-250mg	250mg	3	$28.90
C178996-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$95.90
C178996-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
C178996-25g	25g	1	$1,795.90

Basic Description

Synonyms	1-(3-Chloropropyl)-4-methylpiperazine \| 104-16-5 \| Piperazine, 1-(3-chloropropyl)-4-methyl- \| 3-(4-methylpiperazino)propyl chloride \| 1-methyl-4-(3-chloropropyl)piperazine \| BRN 0106074 \| N-Methylpiperazinopropyl chloride \| EINECS 203-181-6 \| 1-(3-Chloro-propyl)-4-methyl
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines
      - Level5 N-alkylpiperazines
        Level6 N-methylpiperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	N-alkylpiperazines
Direct Parent	N-methylpiperazines
Alternative Parents	Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	N-methylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-methylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries a methyl 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

Pubchem Sid	488183874
IUPAC Name	1-(3-chloropropyl)-4-methylpiperazine
INCHI	InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3
InChIKey	AUERUDPETOKUPT-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)CCCCl
Isomeric SMILES	CN1CCN(CC1)CCCCl
Molecular Weight	176.7
Reaxy-Rn	106074
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106074&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
K2112377	Certificate of Analysis	Aug 21, 2024	C178996
K2112378	Certificate of Analysis	Aug 21, 2024	C178996
K2112379	Certificate of Analysis	Aug 21, 2024	C178996
K2112380	Certificate of Analysis	Aug 21, 2024	C178996
K2112381	Certificate of Analysis	Aug 21, 2024	C178996
B2226419	Certificate of Analysis	Jan 12, 2022	C178996
B2226427	Certificate of Analysis	Jan 12, 2022	C178996
B2226410	Certificate of Analysis	Jan 12, 2022	C178996
B2226426	Certificate of Analysis	Jan 12, 2022	C178996
F2313218	Certificate of Analysis	Oct 16, 2021	C178996

Chemical and Physical Properties

Molecular Weight	176.690 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	176.108 Da
Monoisotopic Mass	176.108 Da
Topological Polar Surface Area	6.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	100.000
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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