Products for Research Use Only
RegisterLogin

YM-53601

CAT: 0572-TRC-Y100613-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-Y100613-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
182959-33-7
Synonyms
2-[(2E)-2-(1-Azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethoxy]-9H-carbazole Hydrochloride (1:1);
Hazard Statement
No Data Available
Smiles
F/C(COC1=CC2=C(C3=CC=CC=C3N2)C=C1)=C(C4)/C5CCN4CC5.Cl
Molecular Formula
C21H21FN2O • HCl
Molecular Weight
372.87
InChI
InChI=1S/C21H21FN2O.ClH/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15;/h1-6,11,14,23H,7-10,12-13H2;1H/b19-18+;
Additionnal Information
IUPAC name: (Z)-2-(2-fluoro-2-(quinuclidin-3-ylidene)ethoxy)-9H-carbazole hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

2-{[(2E)-2-(1-Azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethyl]oxy}-9H-carbazole
CAS Number182959-33-7
PubChem CID60196293
IUPAC Name2-[(2E)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride
Molecular FormulaC21H22ClFN2O
Molecular Weight372.9
Topological Polar Surface Area28.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity528
SMILES
C1CN2CCC1/C(=C(/COC3=CC4=C(C=C3)C5=CC=CC=C5N4)\F)/C2.Cl
InChI
InChI=1S/C21H21FN2O.ClH/c22-19(18-12-24-9-7-14(18)8-10-24)13-25-15-5-6-17-16-3-1-2-4-20(16)23-21(17)11-15;/h1-6,11,14,23H,7-10,12-13H2;1H/b19-18-;
InChIKey
JWXYVHMBPISIJQ-TVWXOORISA-N
Chemical Structure
2D Structure
2D structure of 2-{[(2E)-2-(1-Azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethyl]oxy}-9H-carbazole
CAS: 182959-33-7
CID: 60196293
Formula: C21H22ClFN2O
MW: 372.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass372.1404692
Monoisotopic Mass372.1404692
Topological Polar Surface Area28.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
Y100580YM 201636
TRC-Y100565-500MGYM 2447690
TRC-Y100615-100MGYM 264
TRC-Y100625-100MGYM 244769
TRC-Y100620-500MGYM 022
TRC-Y100617-75MGYM 264-D4
TRC-Y100600-250MGYM 758 Phosphate

Alternative Products

CatalogName
MBS387855-01YM-53601
HHA95928-01YM 53601
A13483-10YM-53601 10mg
A13483-50YM-53601 50mg
A13483-25YM-53601 25mg
A13483-1YM-53601 1mg
HY-100313ARYM-53601 (Standard)
A13483-100YM-53601 100mg
A13483-5YM-53601 5mg
A13483-2YM-53601 2mg

Popular Products