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3-(4-ethylpiperazin-1-yl)aniline - 97%, high purity , CAS No.314061-78-4

COA

Grade & Purity:

≥97%

Cas Number: 314061-78-4
Molecular Weight: 205.3
PubChem CID: 22330105

In stock

Item Number

A633585

Grouped product items
SKU	Size	Availability	Price	Qty
A633585-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$385.90
A633585-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,713.90

Basic Description

Synonyms	3-(4-Ethylpiperazin-1-yl)aniline \| 314061-78-4 \| 3-(4-ethylpiperazin-1-yl)-aniline \| SCHEMBL1126080 \| TQR915 \| MFCD10032982 \| 3-(4-ethyl-piperazin-1-yl)-aniline \| AKOS009290099 \| SB73868 \| EN300-141266 \| P19121 \| Z376447264
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Amine - Primary amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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	3-(4-ethylpiperazin-1-yl)aniline
INCHI	InChI=1S/C12H19N3/c1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12/h3-5,10H,2,6-9,13H2,1H3
InChIKey	XDXZLNGWAJYQDH-UHFFFAOYSA-N
Smiles	CCN1CCN(CC1)C2=CC=CC(=C2)N
Isomeric SMILES	CCN1CCN(CC1)C2=CC=CC(=C2)N
PubChem CID	22330105
Molecular Weight	205.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.300 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.158 Da
Monoisotopic Mass	205.158 Da
Topological Polar Surface Area	32.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	187.000
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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