Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-, bromide


Chemical Name: Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-, bromide
CAS Number: 1239-45-8
Product Number: AG000L86(AGN-PC-0JKBWG)
Synonyms:
MDL No:
Molecular Formula: C21H20BrN3
Molecular Weight: 394.3076

Identification/Properties


Properties
MP:
260-262 °C (dec.);(lit.);
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.6700 (estimate)
Solubility:
H2O: 10 mg/mL, opaque, strongly red
Computed Properties
Molecular Weight:
394.316g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
393.084g/mol
Monoisotopic Mass:
393.084g/mol
Topological Polar Surface Area:
55.9A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
419
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2810
Hazard Statements:
H331-H341
Precautionary Statements:
P261-P281-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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