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tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate - 97%, high purity , CAS No.91189-18-3

COA

Grade & Purity:

≥97%

Cas Number: 91189-18-3
EC Number: 871-601-0
PubChem CID: 13772848

In stock

Item Number

T678589

Grouped product items
SKU	Size	Availability	Price	Qty
T678589-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90

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 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	Aralkylamines Carbamate esters Trialkylamines Azetidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylmethane - Aralkylamine - Carbamic acid ester - Azetidine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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	tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate
INCHI	InChI=1S/C21H26N2O2/c1-21(2,3)25-20(24)22-18-14-23(15-18)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19H,14-15H2,1-3H3,(H,22,24)
InChIKey	BIVZFVCCXSAZAR-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES	CC(C)(C)OC(=O)NC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
Alternate CAS	91189-18-3
PubChem CID	13772848

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	338.400 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	338.199 Da
Monoisotopic Mass	338.199 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	410.000
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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