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Nerispirdine HCl

CAT: 0013-GTR19196949-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196949-02Size:50 mg
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Description
Nerispirdine HCl
CAS Number
119229-64-0
Field of Research
Neuroscience
Smiles
Cl.FC=1C=NC=CC1N (N2C=C (C=3C=CC=CC32) C) CCC
Molecular Formula
C17H19ClFN3
Molecular Weight
319.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nerispirdine hydrochloride
CAS Number119229-64-0
PubChem CID9818503
IUPAC NameN-(3-fluoro-4-pyridinyl)-3-methyl-N-propylindol-1-amine;hydrochloride
Molecular FormulaC17H19ClFN3
Molecular Weight319.8
Topological Polar Surface Area21.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity338
SMILES
CCCN(C1=C(C=NC=C1)F)N2C=C(C3=CC=CC=C32)C.Cl
InChI
InChI=1S/C17H18FN3.ClH/c1-3-10-20(17-8-9-19-11-15(17)18)21-12-13(2)14-6-4-5-7-16(14)21;/h4-9,11-12H,3,10H2,1-2H3;1H
InChIKey
FYIIKHJFVLTAFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nerispirdine hydrochloride
CAS: 119229-64-0
CID: 9818503
Formula: C17H19ClFN3
MW: 319.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass319.1251535
Monoisotopic Mass319.1251535
Topological Polar Surface Area21.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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