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Compound Fr12804

CAT: 0931-Fr12804-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12804-02Size:25 mg
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CAS Number
20059-73-8
Bioactivity
Compound Fr12804, with CAS No. 20059-73-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12804 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)CCOc1ccc(CN)cc1
Molecular Formula
C11H18N2O
Molecular Weight
194.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

p-(2-(Dimethylamino)ethoxy)benzylamine

4-[2-(Dimethylamino)ethoxy]benzylamine is an aromatic amine.

CAS Number20059-73-8
PubChem CID88349
IUPAC Name2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine
Molecular FormulaC11H18N2O
Molecular Weight194.27
XLogP0.8
Topological Polar Surface Area38.5
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)CN
InChI
InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3
InChIKey
OBHPRQNPNGQGCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-(2-(Dimethylamino)ethoxy)benzylamine
CAS: 20059-73-8
CID: 88349
Formula: C11H18N2O
MW: 194.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.27
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass194.141913202
Monoisotopic Mass194.141913202
Topological Polar Surface Area38.5 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
Fr12204-01Compound Fr12204
Fr12814-01Compound Fr12814
Fr12807-01Compound Fr12807
Fr12805-01Compound Fr12805
Fr12604-01Compound Fr12604
Fr12802-01Compound Fr12802
Fr12806-01Compound Fr12806
Fr12404-01Compound Fr12404
Fr12803-01Compound Fr12803
Fr13804-01Compound Fr13804

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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