1,2-Ethanediamine,N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-,(2Z)-2-butenedioate (1:1)


Chemical Name: 1,2-Ethanediamine,N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyridinyl-,(2Z)-2-butenedioate (1:1)
CAS Number: 59-33-6
Product Number: AG00IAHB(AGN-PC-0SS4GV)
Synonyms:
MDL No:
Molecular Formula: C21H27N3O5
Molecular Weight: 401.4562

Identification/Properties


Properties
MP:
99 - 102°C
Storage:
Light sensitive;Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
401.463g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
9
Exact Mass:
401.195g/mol
Monoisotopic Mass:
401.195g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
396
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P301+P312+P330-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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