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Y 11

CAT: 0013-GTR19200678-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200678-02Size:5 mg
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Description
Y 11
CAS Number
1086639-59-9
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
[Br-].OCC[N+]12CN3CN (CN (C3) C1) C2
Molecular Formula
C8H17BrN4O
Molecular Weight
265.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(2-hydroxyethyl)-, bromide
CAS Number1086639-59-9
PubChem CID24195918
IUPAC Name2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanol bromide
Molecular FormulaC8H17BrN4O
Molecular Weight265.15
Topological Polar Surface Area30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity179
SMILES
C1N2CN3CN1C[N+](C2)(C3)CCO.[Br-]
InChI
InChI=1S/C8H17N4O.BrH/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12;/h13H,1-8H2;1H/q+1;/p-1
InChIKey
HBPXFHNNLMCUPA-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(2-hydroxyethyl)-, bromide
CAS: 1086639-59-9
CID: 24195918
Formula: C8H17BrN4O
MW: 265.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.15
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass264.05857
Monoisotopic Mass264.05857
Topological Polar Surface Area30 Ų
Heavy Atom Count14
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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