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4-(azetidin-1-yl)aniline - 97%, high purity , CAS No.344405-51-2

COA

Grade & Purity:

≥97%

Cas Number: 344405-51-2
Molecular Weight: 148.21
EC Number: 832-481-5
PubChem CID: 45078992

In stock

Item Number

A638220

Grouped product items
SKU	Size	Availability	Price	Qty
A638220-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$583.90

Basic Description

Synonyms	PS-16622 \| SB50851 \| 4-(1-Azetidinyl)-benzeneamine \| UWVKFAPNLNOQOF-UHFFFAOYSA-N \| 4-(azetidin-1-yl)aniline \| MFCD09263794 \| SCHEMBL1858354 \| 4-(1-Azetidinyl)-benzenamine \| 4-(1-Azetidinyl)aniline \| AKOS006329943 \| EN300-2995440 \| AT29211 \| BENZENAMINE,4-
Specifications & Purity	≥97%
Shipped In	Normal

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	Dialkylarylamines Aniline and substituted anilines Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylazetidine - Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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	4-(azetidin-1-yl)aniline
INCHI	InChI=1S/C9H12N2/c10-8-2-4-9(5-3-8)11-6-1-7-11/h2-5H,1,6-7,10H2
InChIKey	UWVKFAPNLNOQOF-UHFFFAOYSA-N
Smiles	C1CN(C1)C2=CC=C(C=C2)N
Isomeric SMILES	C1CN(C1)C2=CC=C(C=C2)N
Alternate CAS	344405-51-2
PubChem CID	45078992
Molecular Weight	148.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	148.200 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	148.1 Da
Monoisotopic Mass	148.1 Da
Topological Polar Surface Area	29.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	124.000
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	1

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