3- (2-Methoxyethoxy) propanenitrile

CAT: 0926-KBA63350-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-KBA63350-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

35633-50-2

MDL Number

MFCD09950101

Smiles

COCCOCCC#N

Molecular Formula

C6H11NO2

Molecular Weight

129.16 g/mol

Controlled

Chemical Information

Propanenitrile, 3-(2-methoxyethoxy)-

CAS Number	35633-50-2
PubChem CID	118852
IUPAC Name	3-(2-methoxyethoxy)propanenitrile
Molecular Formula	C6H11NO2
Molecular Weight	129.16
XLogP	-0.4
Topological Polar Surface Area	42.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

COCCOCCC#N

InChI

InChI=1S/C6H11NO2/c1-8-5-6-9-4-2-3-7/h2,4-6H2,1H3

InChIKey

ZAGOKQGYDCMNPT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35633-50-2

CID: 118852

Formula: C6H11NO2

MW: 129.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.16
XLogP3	-0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	129.078978594
Monoisotopic Mass	129.078978594
Topological Polar Surface Area	42.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.5
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
ICA93628-01	3- (2-Methylpropoxy) propanenitrile
ABA31030-01	2- (3-Methoxyphenyl) propanenitrile
VCA78642-01	3- (2-Methoxyphenoxy) propanenitrile
FF80270-01	3- (2-Fluoroethoxy) Propanenitrile
ABA26805-01	3- (2-Methylphenoxy) propanenitrile
EAA59477-01	3- (2-Oxocyclopentyl) propanenitrile
LCA69807-01	3- (2-Bromophenyl) propanenitrile
RNA00906-01	2- (3-Bromophenyl) propanenitrile
BAA74067-01	3- (2-Chloroethoxy) propanenitrile
JBD30834-01	3- (2,2-Dichlorocyclopropyl) propanenitrile

Catalog	Name
OR470798	2- (Phenylamino) propanenitrile
sc-320402A	2- (2-Bromophenyl) propanenitrile
OR950184	2- (2-Methylphenyl) propanenitrile
OR900475-01	3- (2-Methylpropoxy) propanenitrile
OR24136-01	3- (2-oxocyclohexyl) propanenitrile
OR1040172-01	2- (2,6-Dichlorophenoxy) propanenitrile
OR303950-01	2-Methyl-2- (phenylamino) propanenitrile
OR310001	2-Methyl-2- (propylamino) propanenitrile
sc-275008	2-methyl-2- (methylamino) propanenitrile
JH525539	3- (2-fluorophenyl) propanenitrile