1-(4-Aminobutyl)-1H-pyrrole-2,5-dione hydrochloride


Chemical Name: 1-(4-Aminobutyl)-1H-pyrrole-2,5-dione hydrochloride
CAS Number: 952292-18-1
Product Number: AG00IIVF(AGN-PC-0WAMJ0)
Synonyms:
MDL No: MFCD16619569
Molecular Formula: C8H13ClN2O2
Molecular Weight: 204.6540

Identification/Properties


Computed Properties
Molecular Weight:
204.654g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
204.067g/mol
Monoisotopic Mass:
204.067g/mol
Topological Polar Surface Area:
63.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(4-Aminobutyl)-1H-pyrrole-2,5-dione hydrochloride, commonly used in chemical synthesis, serves as a versatile intermediate in the production of various organic compounds. With its reactive amine group and pyrrole ring structure, this compound is particularly valuable in the formation of heterocyclic compounds such as pyrroles and indoles. Its ability to undergo acylation, alkylation, and cyclization reactions makes it a valuable building block in the pharmaceutical and agrochemical industries. Furthermore, the hydrochloride salt form enhances its solubility and stability in aqueous environments, facilitating its use in a wide range of synthetic processes.