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1-(3-Bromophenyl)-4-methylpiperazine - ≥95%, high purity , CAS No.747413-17-8

COA

Grade & Purity:

≥95%

Cas Number: 747413-17-8
Molecular Weight: 255.15
PubChem CID: 53415329

In stock

Item Number

M733570

Grouped product items
SKU	Size	Availability	Price	Qty
M733570-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,215.90

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-methylpiperazines Bromobenzenes Aryl bromides Trialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - 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	1-(3-bromophenyl)-4-methylpiperazine
INCHI	InChI=1S/C11H15BrN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3
InChIKey	HJRZEXYEOXVFGH-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)C2=CC(=CC=C2)Br
Isomeric SMILES	CN1CCN(CC1)C2=CC(=CC=C2)Br
PubChem CID	53415329
Molecular Weight	255.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	255.150 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	254.042 Da
Monoisotopic Mass	254.042 Da
Topological Polar Surface Area	6.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	178.000
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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1-(3-Bromophenyl)-4-methylpiperazine - ≥95%, high purity , CAS No.747413-17-8

Basic Description