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Alpha-Carboline-15N2

CAT: 0572-TRC-C176602-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C176602-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189983-12-7
Synonyms
9H-Pyrido[2,3-b]indole-15N2; 1,9-Diazafluorene-15N2; 1-Azacarbazole-15N2; 9H-1,9-Diazafluorene-15N2; NSC 67064-15N2;
Hazard Statement
No Data Available
Smiles
c1ccc2c(c1)[15nH]c3[15n]cccc23
Molecular Formula
C11H815N2
Molecular Weight
170.18
Shipping Conditions
Room Temperature

Chemical Information

alpha-Carboline-15N2
CAS Number1189983-12-7
PubChem CID46780170
IUPAC Name9H-(115N)pyridino[2,3-b]indole
Molecular FormulaC11H8N2
Molecular Weight170.18
XLogP2.9
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
C1=CC=C2C(=C1)C3=C([15NH]2)[15N]=CC=C3
InChI
InChI=1S/C11H8N2/c1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10/h1-7H,(H,12,13)/i12+1,13+1
InChIKey
BPMFPOGUJAAYHL-ULRYTFMMSA-N
Chemical Structure
2D Structure
2D structure of alpha-Carboline-15N2
CAS: 1189983-12-7
CID: 46780170
Formula: C11H8N2
MW: 170.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.18
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass170.06281805
Monoisotopic Mass170.06281805
Topological Polar Surface Area28.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
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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