2-Pyridinepropanamine, g-(4-bromophenyl)-N,N-dimethyl-,(2Z)-2-butenedioate (1:1)


Chemical Name: 2-Pyridinepropanamine, g-(4-bromophenyl)-N,N-dimethyl-,(2Z)-2-butenedioate (1:1)
CAS Number: 980-71-2
Product Number: AG00H5Z8(AGN-PC-0W7UMO)
Synonyms:
MDL No:
Molecular Formula: C20H23BrN2O4
Molecular Weight: 435.3116

Identification/Properties


Properties
MP:
134-135°C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
435.318g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
434.084g/mol
Monoisotopic Mass:
434.084g/mol
Topological Polar Surface Area:
90.7A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
368
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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