but-2-enedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol


Chemical Name: but-2-enedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CAS Number: 119637-66-0
Product Number: AG008XK4(AGN-PC-04W3D1)
Synonyms:
MDL No:
Molecular Formula: C34H54N2O10
Molecular Weight: 650.8000

Identification/Properties


Properties
MP:
145 - 147°C
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
383.441g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
11
Exact Mass:
383.194g/mol
Monoisotopic Mass:
383.194g/mol
Topological Polar Surface Area:
125A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
334
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (2E)-2-butenedioate (2:1) is a versatile compound widely used in chemical synthesis processes. This compound plays a crucial role in organic chemistry as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique molecular structure allows for the formation of complex organic molecules through strategic functional group transformations and selective reactions. In particular, this compound is valued for its ability to act as a building block for creating structurally diverse compounds with enhanced biological activities and physicochemical properties. As a result, it is frequently employed in the design and synthesis of novel drug candidates, agricultural compounds, and advanced materials. Its utility in chemical synthesis extends across various industries, making it an indispensable tool for researchers and chemists developing innovative compounds with tailored functionalities.