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Compound Fr13143

CAT: 0013-GTR19269881-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269881-01Size:1 mg
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Description
Compound Fr13143, with CAS No. 884507-33-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13143 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.
CAS Number
884507-33-9
Smiles
CNCc1ccccc1OCCN (C) C
Molecular Formula
C12H20N2O
Molecular Weight
208.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-methyl-2-[2-(dimethylamino)ethoxy]benzylamine
CAS Number884507-33-9
PubChem CID18525858
IUPAC NameN,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
Molecular FormulaC12H20N2O
Molecular Weight208.30
XLogP1.3
Topological Polar Surface Area24.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity162
SMILES
CNCC1=CC=CC=C1OCCN(C)C
InChI
InChI=1S/C12H20N2O/c1-13-10-11-6-4-5-7-12(11)15-9-8-14(2)3/h4-7,13H,8-10H2,1-3H3
InChIKey
WHBYXCTXAOHVPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-2-[2-(dimethylamino)ethoxy]benzylamine
CAS: 884507-33-9
CID: 18525858
Formula: C12H20N2O
MW: 208.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.30
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass208.157563266
Monoisotopic Mass208.157563266
Topological Polar Surface Area24.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity162
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

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GTR19269884-01Compound Fr13155
GTR19269878-01Compound Fr13125
GTR19269877-01Compound Fr13124
GTR19269773-01Compound Fr12173
GTR19269931-01Compound Fr13540
GTR19269917-01Compound Fr13373

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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