Skip to the beginning of the images gallery

3-azatricyclo[4.2.1.0²⁵]non-7-en-4-one - 97%, high purity , CAS No.14735-70-7

COA

Grade & Purity:

≥97%

Cas Number: 14735-70-7
Molecular Weight: 135.16
MDL number: MFCD00143363
PubChem CID: 303980

In stock

Item Number

A629390

Grouped product items
SKU	Size	Availability	Price	Qty
A629390-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
A629390-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,001.90

Basic Description

Synonyms	14735-70-7 \| 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one \| 3-AZA-TRICYCLO[4.2.1.0(2,5)]NON-7-EN-4-ONE \| 4-Oxo-3-aza-tricyclo[4.2.1.0(2.5)]non-7-ene \| NSC194648 \| SCHEMBL49111 \| STR11647 \| AKOS037655961 \| AB03866 \| NSC-194648 \| 3-azatricyclo[4.2.1.0?,?]non-7-e
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactams
    - Subclass Caprolactams

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactams
Subclass	Caprolactams
Intermediate Tree Nodes	Not available
Direct Parent	Caprolactams
Alternative Parents	Azepanes Beta lactams Secondary carboxylic acid amides Azetidines Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Caprolactam - Azepane - Beta-lactam - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH.
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	3-azatricyclo[4.2.1.02,5]non-7-en-4-one
INCHI	InChI=1S/C8H9NO/c10-8-6-4-1-2-5(3-4)7(6)9-8/h1-2,4-7H,3H2,(H,9,10)
InChIKey	WBZQHVKGKQXWMW-UHFFFAOYSA-N
Smiles	C1C2C=CC1C3C2C(=O)N3
Isomeric SMILES	C1C2C=CC1C3C2C(=O)N3
PubChem CID	303980
NSC Number	194648
Molecular Weight	135.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	135.160 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	135.068 Da
Monoisotopic Mass	135.068 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	233.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration