Products for Research Use Only

Apronal

CAT: 0013-GTR19175225-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175225-02Size:200 mg
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Description
Apronal (Apronalide) is a sedative-hypnotic small molecule utilized in neuropsychiatric disorder research. It serves as a tool compound for investigating mechanisms of sedation in both in vitro assays and in vivo animal models relevant to sleep and neurological conditions.
CAS Number
528-92-7
Product Name Alternative
Allylisopropylacetylurea, Apronal, Apronalide
Field of Research
Pharmacology & Drug Discovery
Purity
99.77% (May vary between batches)
Solubility
DMSO:145 mg/mL (787.02 mM) ;10% DMSO+90% Corn Oil:4 mg/mL (21.71 mM)
Smiles
CC (C) C (CC=C) C (=O) NC (N) =O
Molecular Formula
C9H16N2O2
Molecular Weight
184.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Allylisopropylacetylurea

Apronal is a N-acylurea.

CAS Number528-92-7
PubChem CID10715
IUPAC NameN-carbamoyl-2-propan-2-ylpent-4-enamide
Molecular FormulaC9H16N2O2
Molecular Weight184.24
XLogP1.7
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity212
SMILES
CC(C)C(CC=C)C(=O)NC(=O)N
InChI
InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)
InChIKey
KSUUMAWCGDNLFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Allylisopropylacetylurea
CAS: 528-92-7
CID: 10715
Formula: C9H16N2O2
MW: 184.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight184.24
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass184.121177757
Monoisotopic Mass184.121177757
Topological Polar Surface Area72.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity212
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