200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87469-61-2
87469-61-2 | 9-[BENZYL]-1-METHYLISOGUANINE
CAS No: 87469-61-2 Catalog No: AG004FNX MDL No:
Product Description
Catalog Number:
AG004FNX
Chemical Name:
9-[BENZYL]-1-METHYLISOGUANINE
CAS Number:
87469-61-2
Molecular Formula:
C13H13N5O
Molecular Weight:
255.2752
IUPAC Name:
6-amino-9-benzyl-1-methylpurin-2-one
InChI:
InChI=1S/C13H13N5O/c1-17-11(14)10-12(16-13(17)19)18(8-15-10)7-9-5-3-2-4-6-9/h2-6,8H,7,14H2,1H3
InChI Key:
KFBJOCJUXQCELH-UHFFFAOYSA-N
SMILES:
Cn1c(=O)nc2c(c1N)ncn2Cc1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.281g/mol
Monoisotopic Mass:
255.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.