3,3-Diethoxypropionitrile

CAT: 0572-TRC-D442100-50GSize: 50 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-D442100-50GSize:50 g

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CAS Number

2032-34-0

Synonyms

3,3-Diethoxypropanenitrile; Cyanoacetaldehyde Diethyl Acetal; Malonaldehydenitrile Diethyl Acetal;

Hazard Statement

No Data Available

Smiles

CCOC(CC#N)OCC

Molecular Formula

C7H13NO2

Molecular Weight

143.18

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

3,3-Diethoxypropiononitrile

CAS Number	2032-34-0
PubChem CID	74851
IUPAC Name	3,3-diethoxypropanenitrile
Molecular Formula	C7H13NO2
Molecular Weight	143.18
XLogP	0.5
Topological Polar Surface Area	42.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

CCOC(CC#N)OCC

InChI

InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3

InChIKey

WBOXEOCWOCJQNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2032-34-0

CID: 74851

Formula: C7H13NO2

MW: 143.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	143.18
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	143.094628657
Monoisotopic Mass	143.094628657
Topological Polar Surface Area	42.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
sc-226192	3,3-Diethoxypropionitrile
OR1030542-01	2,2-Diethoxypropionitrile
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
sc-261129	3,3,3-Trifluoropropionitrile

3,3-Diethoxypropionitrile

Chemical Information

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