8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl-4-phenyl-,(2Z)-2-butenedioate (1:1)


Chemical Name: 8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl-4-phenyl-,(2Z)-2-butenedioate (1:1)
CAS Number: 32795-47-4
Product Number: AG00C6JF(AGN-PC-0R85WT)
Synonyms:
MDL No:
Molecular Formula: C20H22N2O4
Molecular Weight: 354.3997

Identification/Properties


Properties
MP:
>181°C (dec.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
354.406g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
354.158g/mol
Monoisotopic Mass:
354.158g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
391
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



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