(3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride


Chemical Name: (3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride
CAS Number: 1417789-50-4
Product Number: AG00HW89(AGN-PC-0WA209)
Synonyms:
MDL No: MFCD11656765
Molecular Formula: C7H16Cl2N2
Molecular Weight: 199.12134

Identification/Properties


Computed Properties
Molecular Weight:
199.119g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
198.069g/mol
Monoisotopic Mass:
198.069g/mol
Topological Polar Surface Area:
15.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
114
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
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



In chemical synthesis, (3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole dihydrochloride serves as a valuable building block for creating complex molecular structures. This compound can be utilized as a key intermediate in the synthesis of various heterocyclic compounds, pharmaceuticals, and natural products. Its unique ring structure and functional groups make it a versatile molecule for forming new chemical entities with diverse properties and applications. By incorporating (3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole dihydrochloride into chemical reactions, researchers can access novel compounds with potential biological activities or specific chemical functionalities for further studies or industrial applications.