200,000+ products from a single source!
sales@angenechem.com
1736-95-4 | 9H-Purin-6-amine, 9-ethyl-2-(trifluoromethyl)-
CAS No: 1736-95-4 Catalog No: AG001Z1W MDL No:
Product Description
Catalog Number:
AG001Z1W
Chemical Name:
9H-Purin-6-amine, 9-ethyl-2-(trifluoromethyl)-
CAS Number:
1736-95-4
Molecular Formula:
C8H8F3N5
Molecular Weight:
231.1778
IUPAC Name:
9-ethyl-2-(trifluoromethyl)purin-6-amine
InChI:
InChI=1S/C8H8F3N5/c1-2-16-3-13-4-5(12)14-7(8(9,10)11)15-6(4)16/h3H,2H2,1H3,(H2,12,14,15)
InChI Key:
DBPJUQIIERGGSN-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1nc(nc2N)C(F)(F)F
NSC Number:
67095
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.073g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.182g/mol
Monoisotopic Mass:
231.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.