200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 116545-87-0
116545-87-0 | 1H-Purine-2,6-dione, 3,9-dihydro-8-(4-nitrophenyl)-1,3-dipropyl-
CAS No: 116545-87-0 Catalog No: AG000CQK MDL No:
Product Description
Catalog Number:
AG000CQK
Chemical Name:
1H-Purine-2,6-dione, 3,9-dihydro-8-(4-nitrophenyl)-1,3-dipropyl-
CAS Number:
116545-87-0
Molecular Formula:
C17H19N5O4
Molecular Weight:
357.3639
IUPAC Name:
8-(4-nitrophenyl)-1,3-dipropyl-7H-purine-2,6-dione
InChI:
InChI=1S/C17H19N5O4/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(8-6-11)22(25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)
InChI Key:
KMJNGODGJHXEJE-UHFFFAOYSA-N
SMILES:
CCCn1c2[nH]c(nc2c(=O)n(c1=O)CCC)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.144g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.37g/mol
Monoisotopic Mass:
357.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.