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3,3-Diethoxypropionitrile - >95.0%(GC), high purity , CAS No.2032-34-0

1 Citations

COA

Grade & Purity:

≥95%(GC)

Cas Number: 2032-34-0
Molecular Weight: 143.18
Beilstein Registry Number: 1754493
EC Number: 217-988-6
MDL number: MFCD00040558
PubChem CID: 74851
PubChem SID: 504754872

In stock

Item Number

D124213

Grouped product items
SKU	Size	Availability	Price
D124213-1ml	1ml	3	$9.90
D124213-5ml	5ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$18.90
D124213-25ml	25ml	2	$70.90
D124213-100ml	100ml	2	$253.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	3,3-Diethoxypropionitrile, 95% \| cyanacetaldehyde diethylacetal \| cyan-acetaldehyde diethyl-acetal \| EINECS 217-988-6 \| J-013214 \| MFCD00040558 \| Malonaldehydenitrile diethyl acetal \| Acetaldehyde, cyano-, diethyl acetal \| 3,3-Diethoxypropiononitrile \| SC
Specifications & Purity	≥95%(GC)
Shipped In	Normal
Product Description	3,3-Diethoxypropionitrile is a cyanide derivative. It undergoes reaction with urea in refluxing butanolic sodium butoxide to afford 4-amino-2(1H)-pyrimidinone and cytosine. Its physical properties (density, refractive index, boiling point and melting point) have been reported.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Acetals
Alternative Parents	Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrile - Carbonitrile - Acetal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' 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

Pubchem Sid	504754872
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754872
IUPAC Name	3,3-diethoxypropanenitrile
INCHI	InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3
InChIKey	WBOXEOCWOCJQNK-UHFFFAOYSA-N
Smiles	CCOC(CC#N)OCC
Isomeric SMILES	CCOC(CC#N)OCC
WGK Germany	2
Molecular Weight	143.18
Beilstein	1754493
Reaxy-Rn	1754493
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754493&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
F2002134	Certificate of Analysis	Mar 08, 2024	D124213
L2406074	Certificate of Analysis	Oct 18, 2021	D124213
K2222432	Certificate of Analysis	Oct 18, 2021	D124213

Chemical and Physical Properties

Refractive Index	1.415
Flash Point(°F)	183.2 °F
Flash Point(°C)	84°C
Boil Point(°C)	99°C/14mmHg
Molecular Weight	143.180 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	143.095 Da
Monoisotopic Mass	143.095 Da
Topological Polar Surface Area	42.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110.000
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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