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Compound Fr16618

CAT: 0931-Fr16618-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16618-03Size:10 mg
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CAS Number
886851-52-1
Bioactivity
Compound Fr16618, with CAS No. 886851-52-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16618 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
CNCC1=CC(=CC=C1N1CCOCC1)C(F)(F)F
Molecular Formula
C13H17F3N2O
Molecular Weight
274.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-methyl-2-morpholino-5-(trifluoromethyl)benzylamine
CAS Number886851-52-1
PubChem CID18525888
IUPAC NameN-methyl-1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
Molecular FormulaC13H17F3N2O
Molecular Weight274.28
XLogP1.9
Topological Polar Surface Area24.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity280
SMILES
CNCC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2
InChI
InChI=1S/C13H17F3N2O/c1-17-9-10-8-11(13(14,15)16)2-3-12(10)18-4-6-19-7-5-18/h2-3,8,17H,4-7,9H2,1H3
InChIKey
UAZNBBVDDCKGES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-2-morpholino-5-(trifluoromethyl)benzylamine
CAS: 886851-52-1
CID: 18525888
Formula: C13H17F3N2O
MW: 274.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.28
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass274.12929766
Monoisotopic Mass274.12929766
Topological Polar Surface Area24.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity280
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
Fr16678-01Compound Fr16678
Fr16668-01Compound Fr16668
Fr16718-01Compound Fr16718
Fr16698-01Compound Fr16698
Fr16658-01Compound Fr16658
Fr16628-01Compound Fr16628
Fr16613-01Compound Fr16613
Fr16614-01Compound Fr16614
Fr16615-01Compound Fr16615
Fr16610-01Compound Fr16610

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

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