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Piclonidine

CAT: 0931-T34059-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34059-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72467-44-8
Target
Others
Related Pathways
Others
Bioactivity
Piclonidine is a bioactive chemical.
Smiles
ClC1=CC=CC(Cl)=C1N(C2=NCCN2)C3OCCCC3
Molecular Formula
C14H17Cl2N3O
Molecular Weight
314.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Piclonidine
CAS Number72467-44-8
PubChem CID68914
IUPAC NameN-(2,6-dichlorophenyl)-N-(oxan-2-yl)-4,5-dihydro-1H-imidazol-2-amine
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.2
XLogP2.9
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity356
SMILES
C1CCOC(C1)N(C2=C(C=CC=C2Cl)Cl)C3=NCCN3
InChI
InChI=1S/C14H17Cl2N3O/c15-10-4-3-5-11(16)13(10)19(14-17-7-8-18-14)12-6-1-2-9-20-12/h3-5,12H,1-2,6-9H2,(H,17,18)
InChIKey
NYQGJEQCYOJBPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Piclonidine
CAS: 72467-44-8
CID: 68914
Formula: C14H17Cl2N3O
MW: 314.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.2
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass313.0748676
Monoisotopic Mass313.0748676
Topological Polar Surface Area36.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity356
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

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