N-(4-cyano-3-methylisoquinolin-1-yl)acetamide


Chemical Name: N-(4-cyano-3-methylisoquinolin-1-yl)acetamide
CAS Number: 179985-52-5
Product Number: AG0021JI(AGN-PC-0KYOVN)
Synonyms:
MDL No:
Molecular Formula: C13H11N3O
Molecular Weight: 225.2459

Identification/Properties


Computed Properties
Molecular Weight:
225.251g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
225.09g/mol
Monoisotopic Mass:
225.09g/mol
Topological Polar Surface Area:
65.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
346
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


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback