Products for Research Use Only
RegisterLogin

2- (β-cyanoethyl) cyclohexanone

CAT: 0013-GTR19251461-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19251461-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
2- (β-cyanoethyl) cyclohexanone
CAS Number
4594-78-9
Purity
99.70% (May vary between batches)
Smiles
O=C1CCCCC1CCC#N
Molecular Formula
C9H13NO
Molecular Weight
151.2056
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Oxocyclohexanepropiononitrile
CAS Number4594-78-9
PubChem CID96223
IUPAC Name3-(2-oxocyclohexyl)propanenitrile
Molecular FormulaC9H13NO
Molecular Weight151.21
XLogP1
Topological Polar Surface Area40.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity189
SMILES
C1CCC(=O)C(C1)CCC#N
InChI
InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
InChIKey
SPTVCXKSSRBTMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Oxocyclohexanepropiononitrile
CAS: 4594-78-9
CID: 96223
Formula: C9H13NO
MW: 151.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.21
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass151.099714038
Monoisotopic Mass151.099714038
Topological Polar Surface Area40.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19211411-01Alsterpaullone, 2-Cyanoethyl
GTR19251052-01N- (2-cyanoethyl) pyrrole
GTR19153850Cyclohexanone
GTR19251193-01Cyclohexanone oxime
GTR19251214-01N-benzyl-n- (2-cyanoethyl) -2-thiophenecarboxamide
GTR19251147-014- (Trifluoromethyl) cyclohexanone
GTR19259218-011- (2-CYANOETHYL) -3- (TRIFLUOROMETHYL) -2 (1H) -PYRIDONE
GTR19251964-011- (2-Cyanoethyl) -5- (trifluoromethyl) -2 (1H) -pyridone
GTR19246177-014- (Ethoxycarbonyl) -1-cyclohexanone
GTR19281255-01N-Acetyl-S- (2-cyanoethyl) -L-cysteine ammonium

Alternative Products

CatalogName
sc-2874582- (2-Cyanoethyl) cyclohexanone
C28530-012- (b-Cyanoethyl) cyclohexanone
10113-75Cyclohexanone
CS-BX-00305Cyclohexanone-d10
LC-6995.2Cyclohexanone pure
sc-353160Cyclohexanone oxime
3121875Cyclohexanone A.R.
TRC-C987982-1GCyclohexanone-d6
500865-01Cyclohexanone AR
OR1044253Cyclohexanone peroxide

Popular Products