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P1075

CAT: 0607-B6700-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6700-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Kir6 (KATP) channel opener
CAS Number
60559-98-0
Field of Research
Membrane Transporter Ion Channel Potassium Channel
Purity
0.98
Form
White solid
Solubility
Soluble in DMSO
Smiles
N#CN/C(NC1=CC=CN=C1)=N\C(C)(C)CC
Molecular Formula
C12H17N5
Molecular Weight
231.3
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine

1-cyano-2-(2-methylbutan-2-yl)-3-(3-pyridinyl)guanidine is a member of pyridines.

CAS Number60559-98-0
PubChem CID43345
IUPAC Name1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidine
Molecular FormulaC12H17N5
Molecular Weight231.30
XLogP2.1
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity312
SMILES
CCC(C)(C)N=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17)
InChIKey
HKZNADVVGXKQDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CAS: 60559-98-0
CID: 43345
Formula: C12H17N5
MW: 231.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.30
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass231.14839556
Monoisotopic Mass231.14839556
Topological Polar Surface Area73.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
256142-01P1075

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