Acetonitrile, amino-, sulfate


Chemical Name: Acetonitrile, amino-, sulfate
CAS Number: 151-63-3
Product Number: AG001MZR(AGN-PC-0JNNQJ)
Synonyms:
MDL No:
Molecular Formula: C2H6N2O4S
Molecular Weight: 154.1450

Identification/Properties


Computed Properties
Molecular Weight:
154.14g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
154.005g/mol
Monoisotopic Mass:
154.005g/mol
Topological Polar Surface Area:
133A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
121
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:
Danger
UN#:
3439
Hazard Statements:
H301+H311+H331-H315-H319
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback


Chemical Structure



Aminoacetonitrile hydrogensulfate is a versatile compound widely used in chemical synthesis due to its unique properties and applications. This compound serves as a precursor in the synthesis of various valuable chemicals and pharmaceuticals.1. **Synthesis of Amines**: Aminoacetonitrile hydrogensulfate is commonly utilized in the synthesis of amines through reductive amination processes. By reacting with aldehydes or ketones, this compound can be converted into various primary, secondary, or tertiary amines, which are essential building blocks in the pharmaceutical and agrochemical industries.2. **Synthesis of Heterocyclic Compounds**: Aminoacetonitrile hydrogensulfate plays a crucial role in the preparation of heterocyclic compounds, such as pyrimidines and purines. These compounds exhibit diverse biological activities and are found in many pharmaceutical drugs. The ability of aminoacetonitrile hydrogensulfate to participate in cyclization reactions makes it a valuable intermediate in the synthesis of these heterocycles.3. **Production of Complex Molecules**: Aminoacetonitrile hydrogensulfate is employed in the construction of complex molecules with multiple functionalities. Its reactivity allows for the introduction of different functional groups, enabling the synthesis of structurally diverse compounds with specific properties. This compound serves as a key intermediate in the assembly of intricate molecular structures for various applications.4. **Medicinal Chemistry**: In medicinal chemistry, aminoacetonitrile hydrogensulfate is utilized for the preparation of drug candidates and pharmacologically active compounds. Its role in the construction of molecular frameworks with biological relevance makes it an indispensable tool in drug discovery and development efforts.Overall, the utilization of aminoacetonitrile hydrogensulfate in chemical synthesis enables the efficient and versatile construction of a wide range of organic molecules with significant industrial and pharmaceutical relevance.