N-benzyl-N-[(2R)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride


Chemical Name: N-benzyl-N-[(2R)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride
CAS Number: 74764-40-2
Product Number: AG005HAC(AGN-PC-00S4RS)
Synonyms:
MDL No: MFCD00065498
Molecular Formula: C24H35ClN2O
Molecular Weight: 403.0005

Identification/Properties


Computed Properties
Molecular Weight:
403.007g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
10
Exact Mass:
402.244g/mol
Monoisotopic Mass:
402.244g/mol
Topological Polar Surface Area:
15.7A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
382
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:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



1-Pyrrolidineethanamine, β-[(2-methylpropoxy)methyl]-N-phenyl-N-(phenylmethyl)-, hydrochloride, hydrate (1:1:1) is a versatile reagent commonly utilized in chemical synthesis as a key intermediate in the preparation of various organic compounds. This compound serves as a critical building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals due to its unique structural properties and reactivity. In particular, its incorporation into chemical reactions allows for the introduction of specific functional groups and stereochemical elements, enabling the creation of complex molecular structures with high precision. The presence of the hydrochloride salt form enhances the solubility and stability of the compound, making it easier to handle and manipulate in synthetic transformations. Furthermore, the hydrate form provides additional handling benefits by ensuring that the compound is in a readily usable state for reactions, minimizing the need for additional purification steps. Overall, the use of 1-Pyrrolidineethanamine, β-[(2-methylpropoxy)methyl]-N-phenyl-N-(phenylmethyl)-, hydrochloride, hydrate (1:1:1) in chemical synthesis facilitates the efficient and effective generation of complex organic molecules with diverse applications.