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N-Despropyl Ropinirole

CAT: 0572-TRC-D297380-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D297380-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106916-16-9
Synonyms
2H-Indol-2-one, 1,3-dihydro-4-[2-(propylamino)ethyl]-; 1,3-Dihydro-4-[2-(propylamino)ethyl]-2H-indol-2-one; 4-[2-(Propylamino)ethyl]-1,3-dihydro-2H-indol-2-one; SKF 104557; 4-[2-(Propylamino)ethyl]-1,3-dihydro-2H-indol-2-one
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CCCNCCc1cccc2NC(=O)Cc12
Molecular Formula
C13 H18 N2 O
Molecular Weight
218.29
InChI
InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)
Additionnal Information
IUPAC name: 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Skf-104557

N-despropyl ropinirole is a member of indoles.

CAS Number106916-16-9
PubChem CID10398490
IUPAC Name4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one
Molecular FormulaC13H18N2O
Molecular Weight218.29
XLogP1.3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity242
SMILES
CCCNCCC1=C2CC(=O)NC2=CC=C1
InChI
InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)
InChIKey
VKDWFHAQOZYATG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Skf-104557
CAS: 106916-16-9
CID: 10398490
Formula: C13H18N2O
MW: 218.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.29
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass218.141913202
Monoisotopic Mass218.141913202
Topological Polar Surface Area41.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity242
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

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