200,000+ products from a single source!
sales@angenechem.com
161468-33-3 | 4-Isoquinolinecarbonitrile, 1-amino-3-methyl-
CAS No: 161468-33-3 Catalog No: AG001SHU MDL No:
Product Description
Catalog Number:
AG001SHU
Chemical Name:
4-Isoquinolinecarbonitrile, 1-amino-3-methyl-
CAS Number:
161468-33-3
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
1-amino-3-methylisoquinoline-4-carbonitrile
InChI:
InChI=1S/C11H9N3/c1-7-10(6-12)8-4-2-3-5-9(8)11(13)14-7/h2-5H,1H3,(H2,13,14)
InChI Key:
AKNORJGWAWWYIM-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nc(c2c1cccc2)N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.