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Compound Fr13367

CAT: 0931-Fr13367-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13367-02Size:5 mg
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CAS Number
910037-06-8
Bioactivity
Compound Fr13367, with CAS No. 910037-06-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13367 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
CNCc1ccccc1OCCCN(C)C
Molecular Formula
C13H22N2O
Molecular Weight
222.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N,N-Dimethyl-3-(2-((methylamino)methyl)phenoxy)propan-1-amine
CAS Number910037-06-8
PubChem CID24229613
IUPAC NameN,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propan-1-amine
Molecular FormulaC13H22N2O
Molecular Weight222.33
XLogP1.7
Topological Polar Surface Area24.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity173
SMILES
CNCC1=CC=CC=C1OCCCN(C)C
InChI
InChI=1S/C13H22N2O/c1-14-11-12-7-4-5-8-13(12)16-10-6-9-15(2)3/h4-5,7-8,14H,6,9-11H2,1-3H3
InChIKey
PSLNWMDOKBMVNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl-3-(2-((methylamino)methyl)phenoxy)propan-1-amine
CAS: 910037-06-8
CID: 24229613
Formula: C13H22N2O
MW: 222.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.33
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass222.173213330
Monoisotopic Mass222.173213330
Topological Polar Surface Area24.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity173
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
Fr13366-01Compound Fr13366
Fr13365-01Compound Fr13365
Fr13067-01Compound Fr13067
Fr13867-01Compound Fr13867
Fr13767-01Compound Fr13767
Fr13467-01Compound Fr13467
Fr13377-01Compound Fr13377
Fr14367-01Compound Fr14367
Fr13397-01Compound Fr13397
Fr13307-01Compound Fr13307

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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