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Compound PDK0352

CAT: 0931-PDK0352-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0352-02Size:25 mg
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CAS Number
73799-64-1
Bioactivity
Compound PDK0352, with CAS No. 73799-64-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0352 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Cl.C1C2CNCC12
Molecular Formula
C5H10ClN
Molecular Weight
83.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Azabicyclo[3.1.0]hexane hydrochloride
CAS Number73799-64-1
PubChem CID22335289
IUPAC Name3-azabicyclo[3.1.0]hexane;hydrochloride
Molecular FormulaC5H10ClN
Molecular Weight119.59
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
C1C2C1CNC2.Cl
InChI
InChI=1S/C5H9N.ClH/c1-4-2-6-3-5(1)4;/h4-6H,1-3H2;1H
InChIKey
WJXYUEOVOQGJGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Azabicyclo[3.1.0]hexane hydrochloride
CAS: 73799-64-1
CID: 22335289
Formula: C5H10ClN
MW: 119.59
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight119.59
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass119.0501770
Monoisotopic Mass119.0501770
Topological Polar Surface Area12 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes