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A 412997 dihydrochloride

CAT: 0607-B5639-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B5639-5Size:5 mg
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Description
Selective D4 agonist
CAS Number
1347744-96-0
Product Name Alternative
(Z)-2-(4-(pyridin-2-yl)piperidin-1-yl)-N-(m-tolyl)acetimidic acid dihydrochloride
Field of Research
Neuroscience Dopamine Receptor
Purity
0.98
Form
White solid
Solubility
<38.23mg/ml in H2O; <19.12mg/ml in DMSO
Smiles
CC1=CC(/N=C(O)/CN2CCC(C3=CC=CC=N3)CC2)=CC=C1.Cl.Cl
Molecular Formula
C19H23N3O·2HCl
Molecular Weight
382.33
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

2-(4-(pyridin-2-yl)piperidin-1-yl)-N-(m-tolyl)acetamide dihydrochloride
CAS Number1347744-96-0
PubChem CID90488953
IUPAC NameN-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide;dihydrochloride
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.3
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity379
SMILES
CC1=CC(=CC=C1)NC(=O)CN2CCC(CC2)C3=CC=CC=N3.Cl.Cl
InChI
InChI=1S/C19H23N3O.2ClH/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18;;/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23);2*1H
InChIKey
KIGNSSHMCNBHQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(pyridin-2-yl)piperidin-1-yl)-N-(m-tolyl)acetamide dihydrochloride
CAS: 1347744-96-0
CID: 90488953
Formula: C19H25Cl2N3O
MW: 382.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass381.1374678
Monoisotopic Mass381.1374678
Topological Polar Surface Area45.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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