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


Chemical Name: Benzeneacetonitrile,a-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-a-(1-methylethyl)-, (aS)-
CAS Number: 123931-31-7
Product Number: AG000L8O(AGN-PC-0PHOQU)
Synonyms:
MDL No:
Molecular Formula: C26H36N2O4
Molecular Weight: 440.5750

Identification/Properties


Computed Properties
Molecular Weight:
440.584g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
13
Exact Mass:
440.268g/mol
Monoisotopic Mass:
440.268g/mol
Topological Polar Surface Area:
72.7A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
577
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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