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2-cyano-3-azabicyclo[3.1.0]hexane - 97%, high purity , CAS No.115182-91-7

COA

Grade & Purity:

≥97%

Cas Number: 115182-91-7
Molecular Weight: 108.144
PubChem CID: 13150526

In stock

Item Number

C172172

Grouped product items
SKU	Size	Availability	Price	Qty
C172172-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,518.90

Discover 2-cyano-3-azabicyclo[3.1.0]hexane by Aladdin Scientific in 97% for only $4,518.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Piperidines
Alternative Parents	Pyrrolidines Alpha-aminonitriles Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Piperidine - Pyrrolidine - Alpha-aminonitrile - Azacycle - Secondary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
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-azabicyclo[3.1.0]hexane-2-carbonitrile
INCHI	InChI=1S/C6H8N2/c7-2-6-5-1-4(5)3-8-6/h4-6,8H,1,3H2
InChIKey	JFUYLMCSIHJLOX-UHFFFAOYSA-N
Smiles	C1C2C1C(NC2)C#N
Isomeric SMILES	C1C2C1C(NC2)C#N
Molecular Weight	108.144
Reaxy-Rn	15716749
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15716749&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	108.140 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	108.069 Da
Monoisotopic Mass	108.069 Da
Topological Polar Surface Area	35.800 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	155.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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