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Alpha-Carboline N-Oxide-15N2

CAT: 0804-HY-W700867-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W700867-01Size:1 mg
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Description
Alpha-Carboline N-Oxide-15N2 is the 15N labeled 9H-Pyrido[2,3-b]indole 1-oxide.
CAS Number
1189496-03-4
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=[15N]1=CC=CC2=C1[15NH]C3=C2C=CC=C3
Molecular Formula
C11H8 15N2O
Molecular Weight
186.18
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

alpha-Carboline-15N2 N-Oxide
CAS Number1189496-03-4
PubChem CID46780171
IUPAC Name1-hydroxy(115N)pyridino[2,3-b]indole
Molecular FormulaC11H8N2O
Molecular Weight186.18
XLogP2.4
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity221
SMILES
C1=CC=C2C(=C1)C3=CC=C[15N](C3=[15N]2)O
InChI
InChI=1S/C11H8N2O/c14-13-7-3-5-9-8-4-1-2-6-10(8)12-11(9)13/h1-7,14H/i12+1,13+1
InChIKey
WYABHFSECJYIJN-ULRYTFMMSA-N
Chemical Structure
2D Structure
2D structure of alpha-Carboline-15N2 N-Oxide
CAS: 1189496-03-4
CID: 46780171
Formula: C11H8N2O
MW: 186.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.18
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass186.05773267
Monoisotopic Mass186.05773267
Topological Polar Surface Area38.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
Isotope Atom Count2
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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