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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzeneacetonitrile,a-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-a-(1-methylethyl)-, monohydrochloride

COc1ccc(cc1OC)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C.Cl Request for Quotation
Chemical Name: Benzeneacetonitrile,a-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-a-(1-methylethyl)-, monohydrochloride
CAS Number: 152-11-4
Product Number: AG0039KU(AGN-PC-0Q69FZ)
Synonyms:
MDL No:
Molecular Formula: C27H39ClN2O4
Molecular Weight: 491.0626

Identification/Properties

Computed Properties
Molecular Weight:
491.069g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
13
Exact Mass:
490.26g/mol
Monoisotopic Mass:
490.26g/mol
Topological Polar Surface Area:
64A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
606
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

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound $name$ (chemical name: 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxy phenyl)-2-isopropylvaleronitrile hydrochloride) is utilized in chemical synthesis as a key intermediate for the production of advanced pharmaceutical compounds. Its unique chemical structure allows for precise control in synthetic pathways, enabling the formation of complex molecular architectures with high purity and efficiency. This compound serves as a versatile building block for the synthesis of various bioactive molecules, making it essential in the development of pharmaceuticals with potential therapeutic applications.