4- (2,2-Diethoxy-ethoxy) -benzonitrile

CAT: 0024-sc-357627ASize: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-357627ASize:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

787575-81-9

Chemical Information

4-(2,2-Diethoxyethoxy)benzonitrile

CAS Number	787575-81-9
PubChem CID	17749964
IUPAC Name	4-(2,2-diethoxyethoxy)benzonitrile
Molecular Formula	C13H17NO3
Molecular Weight	235.28
XLogP	2.2
Topological Polar Surface Area	51.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	234

SMILES

CCOC(COC1=CC=C(C=C1)C#N)OCC

InChI

InChI=1S/C13H17NO3/c1-3-15-13(16-4-2)10-17-12-7-5-11(9-14)6-8-12/h5-8,13H,3-4,10H2,1-2H3

InChIKey

YXGQLFFOVLQTJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 787575-81-9

CID: 17749964

Formula: C13H17NO3

MW: 235.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.28
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	235.12084340
Monoisotopic Mass	235.12084340
Topological Polar Surface Area	51.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	234
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

Catalog	Name
sc-276961	4-[2- (diethylamino) ethoxy]benzonitrile
sc-340879A	2-[2- (diethylamino) ethoxy]benzonitrile
sc-340879	2-[2- (diethylamino) ethoxy]benzonitrile
sc-495438	4-[ (3-ethoxy-2-hydroxybenzyl) amino]benzonitrile
sc-496206	Phosphoric acid 2- (2-{2-[2- (diethoxy-phosphoryloxy) -ethoxy]-ethoxy}-ethoxy) -ethyl ester diethyl ester
sc-492516	4-{[ (1E) - (3-ethoxy-2-hydroxyphenyl) methylene]amino}benzonitrile
sc-256136	2-Ethoxy-6- (2,2,2-trifluoroethoxy) benzonitrile, tech
sc-256136A	2-Ethoxy-6- (2,2,2-trifluoroethoxy) benzonitrile, tech
sc-277711	4,5-diethoxy-2-nitroaniline
sc-339185A	1,2-diethoxy-4-isocyanatobenzene

Catalog	Name
GIA26163-01	2-[2- (Dimethylamino) ethoxy]benzonitrile
NMB11891-01	2-[2- (Diethylamino) ethoxy]benzonitrile
NKA41014-01	2-[2- (Methylamino) ethoxy]benzonitrile hydrochloride
NRB69939-01	3-[2- (Methylamino) ethoxy]benzonitrile
TRC-D462100-250MG	4-[2-(Dimethylamino)ethoxy]benzonitrile
AR-I01968-01	4- (2- (dimethylamino) ethoxy) benzonitrile
429932-01	4-[2- (Dimethylamino) ethoxy]benzonitrile
OR962754	3- (2-Hydroxy-ethoxy) benzonitrile
AVA02450-01	3-[2- (Dimethylamino) ethoxy]benzonitrile
PC3166-01	2-Ethoxy-6- (2,2,2-trifluoroethoxy) benzonitrile