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1-Benzhydryl-3-phenylazetidine - ≥98%, high purity , CAS No.913814-30-9

COA

Grade & Purity:

≥98%

Cas Number: 913814-30-9
Molecular Weight: 213.19
PubChem CID: 16089447

In stock

Item Number

B728639

Grouped product items
SKU	Size	Availability	Price
B728639-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$135.90
B728639-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$366.90
B728639-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,385.90

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	Phenylazetidines Aralkylamines Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - 3-phenylazetidine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Azetidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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	1-benzhydryl-3-phenylazetidine
INCHI	InChI=1S/C22H21N/c1-4-10-18(11-5-1)21-16-23(17-21)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-22H,16-17H2
InChIKey	PAXDHGAELYIMBD-UHFFFAOYSA-N
Smiles	C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES	C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
PubChem CID	16089447
Molecular Weight	213.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	299.400 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	299.167 Da
Monoisotopic Mass	299.167 Da
Topological Polar Surface Area	3.200 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	323.000
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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