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1-(azetidin-3-yl)imidazole;hydrochloride - 97%, high purity , CAS No.153836-44-3

COA

Grade & Purity:

≥97%

Cas Number: 153836-44-3
Molecular Weight: 159.62
EC Number: 855-417-8
MDL number: MFCD18838975 MFCD12406947
PubChem CID: 53488022

In stock

Item Number

I629617

Grouped product items
SKU	Size	Availability	Price
I629617-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$76.90
I629617-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
I629617-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$386.90

Basic Description

Synonyms	DTXSID70705398 \| SCHEMBL7401834 \| LS-13144 \| 1-(azetidin-3-yl)imidazole;hydrochloride \| SB52184 \| 1-(azetidin-3-yl)-1H-imidazole hydrochloride \| E10005 \| 1-(azetidin-3-yl)-1H-imidazolehydrochloride \| 1-(AZETIDIN-3-YL)-1H-IMIDAZOLE. HCL \| 1-(Azetidin-3-yl)
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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 Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 N-substituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	N-substituted imidazoles
Alternative Parents	Heteroaromatic compounds Azetidines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-substituted imidazole - Heteroaromatic compound - Azetidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
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-(azetidin-3-yl)imidazole;hydrochloride
INCHI	InChI=1S/C6H9N3.ClH/c1-2-9(5-7-1)6-3-8-4-6;/h1-2,5-6,8H,3-4H2;1H
InChIKey	LOXVISDLNHWOKO-UHFFFAOYSA-N
Smiles	C1C(CN1)N2C=CN=C2.Cl
Isomeric SMILES	C1C(CN1)N2C=CN=C2.Cl
Alternate CAS	153836-44-3
PubChem CID	53488022
Molecular Weight	159.62

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	159.620 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	159.056 Da
Monoisotopic Mass	159.056 Da
Topological Polar Surface Area	29.900 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	100.000
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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