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SK&F 39728-A

CAT: 0013-GTR19222793-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222793-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SK&F 39728-A is a bioactive small molecule compound for research use. It has been utilized in scientific studies to investigate biological mechanisms, serving as a tool in both in vitro assays and in vivo experimental models.
CAS Number
3549-17-5
Smiles
FC (F) (F) C=1C=CC=C (C1) C (OC) CNCC=2C=CC=CC2
Molecular Formula
C17H18F3NO
Molecular Weight
309.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SK&F 39728-A

structure

CAS Number3549-17-5
PubChem CID38114
IUPAC NameN-benzyl-2-methoxy-2-[3-(trifluoromethyl)phenyl]ethanamine
Molecular FormulaC17H18F3NO
Molecular Weight309.33
XLogP3.6
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity316
SMILES
COC(CNCC1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H18F3NO/c1-22-16(12-21-11-13-6-3-2-4-7-13)14-8-5-9-15(10-14)17(18,19)20/h2-10,16,21H,11-12H2,1H3
InChIKey
AVOUWNCXBIGLOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SK&F 39728-A
CAS: 3549-17-5
CID: 38114
Formula: C17H18F3NO
MW: 309.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.33
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass309.13404868
Monoisotopic Mass309.13404868
Topological Polar Surface Area21.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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