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methyl 3-(azetidin-3-yl)benzoate hydrochloride - 97%, high purity , CAS No.1203683-86-6

COA

Grade & Purity:

≥97%

Cas Number: 1203683-86-6
PubChem CID: 71433039

In stock

Item Number

M677590

Grouped product items
SKU	Size	Availability	Price
M677590-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$306.90
M677590-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$490.90
M677590-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$816.90
M677590-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,222.90
M677590-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,666.90
M677590-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$6,110.90

Basic Description

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 Organoheterocyclic compounds
  - Class Azetidines
    - Subclass Phenylazetidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Phenylazetidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylazetidines
Alternative Parents	Benzoic acid esters Benzoyl derivatives Aralkylamines Methyl esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzoate ester - 3-phenylazetidine - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Hydrochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring.
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	methyl 3-(azetidin-3-yl)benzoate;hydrochloride
INCHI	InChI=1S/C11H13NO2.ClH/c1-14-11(13)9-4-2-3-8(5-9)10-6-12-7-10;/h2-5,10,12H,6-7H2,1H3;1H
InChIKey	CKDRBGKPHJFAQK-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=CC(=C1)C2CNC2.Cl
Isomeric SMILES	COC(=O)C1=CC=CC(=C1)C2CNC2.Cl
PubChem CID	71433039

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.690 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	227.071 Da
Monoisotopic Mass	227.071 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	213.000
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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