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N-Nitroso Fluoxetine

CAT: 0572-TRC-N171730-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N171730-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150494-06-7
Synonyms
Benzenepropanamine, N-methyl-N-nitroso-γ-[4-(trifluoromethyl)phenoxy]-; N-Methyl-N-nitroso-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine; N-Nitroso Fluoxetine; N-Nitrosofluoxetine
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN(CCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2)N=O
Molecular Formula
C17 H17 F3 N2 O2
Molecular Weight
338.3243
InChI
InChI=1S/C17H17F3N2O2/c1-22(21-23)12-11-16(13-5-3-2-4-6-13)24-15-9-7-14(8-10-15)17(18,19)20/h2-10,16H,11-12H2,1H3
Additionnal Information
IUPAC name: N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]nitrous amide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl(nitroso)(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)amine
CAS Number150494-06-7
PubChem CID9840784
IUPAC NameN-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]nitrous amide
Molecular FormulaC17H17F3N2O2
Molecular Weight338.32
XLogP4.4
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity379
SMILES
CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)N=O
InChI
InChI=1S/C17H17F3N2O2/c1-22(21-23)12-11-16(13-5-3-2-4-6-13)24-15-9-7-14(8-10-15)17(18,19)20/h2-10,16H,11-12H2,1H3
InChIKey
AMFPKCLSNGLBNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl(nitroso)(3-phenyl-3-(4-(trifluoromethyl)phenoxy)propyl)amine
CAS: 150494-06-7
CID: 9840784
Formula: C17H17F3N2O2
MW: 338.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.32
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass338.12421228
Monoisotopic Mass338.12421228
Topological Polar Surface Area41.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity379
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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