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2-[trans-4-aminocyclohexyl]acetonitrile hydrochloride - 97%, high purity , CAS No.1313279-48-9

COA

Grade & Purity:

≥97%

Cas Number: 1313279-48-9
Molecular Weight: 174.67
PubChem CID: 67123709

In stock

Item Number

A628227

Grouped product items
SKU	Size	Availability	Price
A628227-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$183.90
A628227-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$280.90
A628227-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$852.90
A628227-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,483.90

Basic Description

Synonyms	1313279-48-9 \| 2-(trans-4-Aminocyclohexyl)acetonitrile Hydrochloride \| 2-[trans-4-aminocyclohexyl]acetonitrile hydrochloride \| 2-(4-aminocyclohexyl)acetonitrile hydrochloride \| 2-[trans-4-Aminocyclohexyl]acetonitrile HCl \| 2-(4-aminocyclohexyl)acetonitril
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Cyclohexylamines
Intermediate Tree Nodes	Not available
Direct Parent	Cyclohexylamines
Alternative Parents	Nitriles Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexylamine - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine 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	2-(4-aminocyclohexyl)acetonitrile;hydrochloride
INCHI	InChI=1S/C8H14N2.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h7-8H,1-5,10H2;1H
InChIKey	PVCCBMZCSWIUCI-UHFFFAOYSA-N
Smiles	C1CC(CCC1CC#N)N.Cl
Isomeric SMILES	C1CC(CCC1CC#N)N.Cl
PubChem CID	67123709
Molecular Weight	174.67

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	174.670 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	174.092 Da
Monoisotopic Mass	174.092 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	137.000
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	2

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