9H-Pyrido[3,4-b]indole-1-carboxaldehyde


Chemical Name: 9H-Pyrido[3,4-b]indole-1-carboxaldehyde
CAS Number: 20127-63-3
Product Number: AG002DBF(AGN-PC-0LPYWR)
Synonyms:
MDL No:
Molecular Formula: C12H8N2O
Molecular Weight: 196.2047

Identification/Properties


Properties
BP:
440.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
196.209g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
196.064g/mol
Monoisotopic Mass:
196.064g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
256
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



9H-Pyrido[3,4-b]indole-1-carboxaldehyde holds a significant role in chemical synthesis as a versatile building block. With its unique structure and reactive functionality, this compound is widely utilized in the development of various organic molecules. Its aldehyde group enables selective transformations and facilitates the formation of complex molecular frameworks. In the realm of synthetic chemistry, 9H-Pyrido[3,4-b]indole-1-carboxaldehyde serves as a crucial intermediate for the construction of heterocyclic compounds, pharmaceuticals, and agrochemicals. Its presence in the synthesis process contributes to the diversification of chemical structures and the exploration of novel organic reactions.