Products for Research Use Only
RegisterLogin

Compound Fr12822

CAT: 0931-Fr12822-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr12822-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
131028-54-1
Bioactivity
Compound Fr12822, with CAS No. 131028-54-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12822 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CN(C)CCOC1=CC=C(CO)C=C1
Molecular Formula
C11H17NO2
Molecular Weight
195.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

{4-[2-(Dimethylamino)ethoxy]phenyl}methanol
CAS Number131028-54-1
PubChem CID10176517
IUPAC Name[4-[2-(dimethylamino)ethoxy]phenyl]methanol
Molecular FormulaC11H17NO2
Molecular Weight195.26
XLogP1
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity142
SMILES
CN(C)CCOC1=CC=C(C=C1)CO
InChI
InChI=1S/C11H17NO2/c1-12(2)7-8-14-11-5-3-10(9-13)4-6-11/h3-6,13H,7-9H2,1-2H3
InChIKey
YRIVJGAEWBORLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of {4-[2-(Dimethylamino)ethoxy]phenyl}methanol
CAS: 131028-54-1
CID: 10176517
Formula: C11H17NO2
MW: 195.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.26
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass195.125928785
Monoisotopic Mass195.125928785
Topological Polar Surface Area32.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity142
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr12842-01Compound Fr12842
Fr12222-01Compound Fr12222
Fr12722-01Compound Fr12722
Fr13822-01Compound Fr13822
Fr12827-01Compound Fr12827
Fr12282-01Compound Fr12282
Fr12825-01Compound Fr12825
Fr12821-01Compound Fr12821
Fr12802-01Compound Fr12802
Fr12522-01Compound Fr12522

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

Popular Products