Skip to the beginning of the images gallery

2-ETHYL-2-PHENYLBUTYRONITRILE , CAS No.5336-57-2

COA

Cas Number: 5336-57-2
Molecular Weight: 173.26
PubChem CID: 79260

In stock

Item Number

E170845

Grouped product items
SKU	Size	Availability	Price	Qty
E170845-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$206.90

Discover 2-ETHYL-2-PHENYLBUTYRONITRILE by Aladdin Scientific in for only $206.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Ethyl-2-phenylbutyronitrile \| 2-ethyl-2-phenylbutanenitrile \| 5336-57-2 \| NSC343 \| EINECS 226-257-0 \| AI3-33252 \| EC 226-257-0 \| 2-ethyl-2-phenyl-butyronitrile \| SCHEMBL13271382 \| DTXSID10201521 \| NSC 343 \| NSC-343 \| Butyronitrile, 2-ethyl-2-phenyl- \| AKOS010213339 \| Benzeneaceton
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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	2-ethyl-2-phenylbutanenitrile
INCHI	InChI=1S/C12H15N/c1-3-12(4-2,10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3
InChIKey	NIWOFSGCBJZYJQ-UHFFFAOYSA-N
Smiles	CCC(CC)(C#N)C1=CC=CC=C1
Isomeric SMILES	CCC(CC)(C#N)C1=CC=CC=C1
Molecular Weight	173.26
Reaxy-Rn	2251458
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2251458&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	173.250 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	173.12 Da
Monoisotopic Mass	173.12 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	188.000
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

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