3-(2-methylphenyl)pyrrolidine


Chemical Name: 3-(2-methylphenyl)pyrrolidine
CAS Number: 954220-67-8
Product Number: AG00IJ1O(AGN-PC-02LF6Z)
Synonyms:
MDL No:
Molecular Formula: C11H15N
Molecular Weight: 161.2435

Identification/Properties


Computed Properties
Molecular Weight:
161.248g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
161.12g/mol
Monoisotopic Mass:
161.12g/mol
Topological Polar Surface Area:
12A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
144
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-H317
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-(o-Tolyl)pyrrolidine is a valuable chemical building block widely utilized in chemical synthesis processes. As a versatile intermediate, it plays a crucial role in the creation of various organic compounds with diverse applications. This compound is particularly instrumental in the pharmaceutical industry, where it serves as a key starting material for the synthesis of biologically active molecules and drug candidates. Its unique structural properties make it a favored choice for the construction of heterocyclic compounds, which are prevalent in medicinal chemistry. Additionally, 3-(o-Tolyl)pyrrolidine is employed in the development of agrochemicals, dyes, and materials science, showcasing its significance across multiple sectors of the chemical industry. By facilitating complex molecular transformations and enabling the synthesis of novel substances, this compound contributes significantly to advancing scientific research and innovation in various fields.