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1-benzylazetidine-2-carboxamide - ≥95%, high purity , CAS No.40432-40-4

COA

Grade & Purity:

≥95%

Cas Number: 40432-40-4
Molecular Weight: 190.24
PubChem CID: 10932239

In stock

Item Number

B725245

Grouped product items
SKU	Size	Availability	Price	Qty
B725245-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$204.90
B725245-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$347.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid amides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid amides
Alternative Parents	Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Primary carboxylic acid amides Azetidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid amide - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azetidine - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
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-benzylazetidine-2-carboxamide
INCHI	InChI=1S/C11H14N2O/c12-11(14)10-6-7-13(10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,14)
InChIKey	NYSSYUHBYRIDQA-UHFFFAOYSA-N
Smiles	C1CN(C1C(=O)N)CC2=CC=CC=C2
Isomeric SMILES	C1CN(C1C(=O)N)CC2=CC=CC=C2
Alternate CAS	40432-40-4
PubChem CID	10932239
Molecular Weight	190.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	190.240 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	190.111 Da
Monoisotopic Mass	190.111 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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