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Ethyl 1-benzhydrylazetidine-3-carboxylate - ≥95%, high purity , CAS No.887591-82-4

COA

Grade & Purity:

≥95%

Cas Number: 887591-82-4
Molecular Weight: 295.4
PubChem CID: 3300764

In stock

Item Number

E708631

Grouped product items
SKU	Size	Availability	Price	Qty
E708631-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylmethanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylmethanes
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylmethanes
Alternative Parents	Azetidinecarboxylic acids Aralkylamines Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - Azetidinecarboxylic acid - Aralkylamine - Amino acid or derivatives - Azetidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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	ethyl 1-benzhydrylazetidine-3-carboxylate
INCHI	InChI=1S/C19H21NO2/c1-2-22-19(21)17-13-20(14-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKey	BSXVAZZGSMOSNR-UHFFFAOYSA-N
Smiles	CCOC(=O)C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES	CCOC(=O)C1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
PubChem CID	3300764
Molecular Weight	295.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	295.400 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	295.157 Da
Monoisotopic Mass	295.157 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	334.000
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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