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1-(1-Phenylcyclopropyl)piperazine - ≥97%, high purity , CAS No.1245647-91-9

COA

Grade & Purity:

≥97%

Cas Number: 1245647-91-9
PubChem CID: 53350310

In stock

Item Number

P733348

Grouped product items
SKU	Size	Availability	Price	Qty
P733348-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$417.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Not available
Direct Parent	Aralkylamines
Alternative Parents	N-alkylpiperazines Benzene and substituted derivatives Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aralkylamine - N-alkylpiperazine - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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-(1-phenylcyclopropyl)piperazine
INCHI	InChI=1S/C13H18N2/c1-2-4-12(5-3-1)13(6-7-13)15-10-8-14-9-11-15/h1-5,14H,6-11H2
InChIKey	WIFPWYFVWPLROU-UHFFFAOYSA-N
Smiles	C1CC1(C2=CC=CC=C2)N3CCNCC3
Isomeric SMILES	C1CC1(C2=CC=CC=C2)N3CCNCC3
Alternate CAS	1245647-91-9
PubChem CID	53350310

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.300 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	202.147 Da
Monoisotopic Mass	202.147 Da
Topological Polar Surface Area	15.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	211.000
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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