9-BENZYLADENINE


Chemical Name: 9-BENZYLADENINE
CAS Number: 4261-14-7
Product Number: AG00I88L(AGN-PC-0WAJ7H)
Synonyms:
MDL No:
Molecular Formula: C12H11N5
Molecular Weight: 225.2492

Identification/Properties


Properties
MP:
233.5-235.5°C
BP:
356.76°C (rough estimate)
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.6610 (estimate)
Computed Properties
Molecular Weight:
225.255g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
225.101g/mol
Monoisotopic Mass:
225.101g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
253
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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