Products for Research Use Only

Leptodactyline

CAT: 0013-GTR19223394-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223394-02Size:500 mg
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Description
Leptodactyline is a natural quaternary ammonium alkaloid. It serves as a research tool in neuropharmacology, utilized in in vitro studies to investigate nicotinic acetylcholine receptor interactions due to its structural similarity to other natural alkaloids.
CAS Number
13957-33-0
Smiles
OC1=CC=CC (=C1) CC[N+] (C) (C) C
Molecular Formula
C11H18NO
Molecular Weight
180.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Leptodactyline

do not confuse with leptodactylone

CAS Number13957-33-0
PubChem CID10080979
IUPAC Name3-[2-(trimethylazaniumyl)ethyl]phenolate
Molecular FormulaC11H17NO
Molecular Weight179.26
XLogP2.5
Topological Polar Surface Area23.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity151
SMILES
C[N+](C)(C)CCC1=CC(=CC=C1)[O-]
InChI
InChI=1S/C11H17NO/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3
InChIKey
VLDBEZDOSUKOBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Leptodactyline
CAS: 13957-33-0
CID: 10080979
Formula: C11H17NO
MW: 179.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.26
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass179.131014166
Monoisotopic Mass179.131014166
Topological Polar Surface Area23.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity151
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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