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(7S,8aS)-7-fluoro-octahydropyrrolo[1,2-a]pyrazine dihydrochloride - 97%, high purity , CAS No.1807939-68-9

COA

Grade & Purity:

≥97%

Cas Number: 1807939-68-9
EC Number: 842-706-9
PubChem CID: 50988388

In stock

Item Number

F630629

Grouped product items
SKU	Size	Availability	Price
F630629-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
F630629-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$624.90
F630629-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,247.90

Basic Description

Synonyms	EN300-73116 \| MFCD18380706 \| (7S,8aS)-7-fluoro-octahydropyrrolo[1,2-a]piperazine dihydrochloride \| 1807939-68-9 \| BS-43094 \| (7S,8aS)-7-Fluorooctahydropyrrolo[1,2-a]pyrazinedihydrochloride \| D79636 \| Z1954803440 \| (7S,8aS)-7-Fluoro-octahydropyrrolo[1,2-a]
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	N-alkylpiperazines
Alternative Parents	N-alkylpyrrolidines Trialkylamines Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	N-alkylpiperazine - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Azacycle - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Alkyl halide - Hydrochloride - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl 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	(7S,8aS)-7-fluoro-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;dihydrochloride
INCHI	InChI=1S/C7H13FN2.2ClH/c8-6-3-7-4-9-1-2-10(7)5-6;;/h6-7,9H,1-5H2;2*1H/t6-,7-;;/m0../s1
InChIKey	QEPKJBTUTOXIBN-JFYKYWLVSA-N
Smiles	C1CN2CC(CC2CN1)F.Cl.Cl
Isomeric SMILES	C1CN2C[C@H](C[C@H]2CN1)F.Cl.Cl
Alternate CAS	1807939-68-9
PubChem CID	50988388

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	217.110 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	216.06 Da
Monoisotopic Mass	216.06 Da
Topological Polar Surface Area	15.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	129.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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	3

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