200,000+ products from a single source!
sales@angenechem.com
89315-24-2 | 6H-Purin-6-one, 2-amino-1,7-dihydro-7-[1-(hydroxymethyl)-2-propenyl]-
CAS No: 89315-24-2 Catalog No: AG003YIU MDL No:
Product Description
Catalog Number:
AG003YIU
Chemical Name:
6H-Purin-6-one, 2-amino-1,7-dihydro-7-[1-(hydroxymethyl)-2-propenyl]-
CAS Number:
89315-24-2
Molecular Formula:
C9H11N5O2
Molecular Weight:
221.2159
IUPAC Name:
2-amino-7-(1-hydroxybut-3-en-2-yl)-1H-purin-6-one
InChI:
InChI=1S/C9H11N5O2/c1-2-5(3-15)14-4-11-7-6(14)8(16)13-9(10)12-7/h2,4-5,15H,1,3H2,(H3,10,12,13,16)
InChI Key:
JVLXVOQCSGQHDB-UHFFFAOYSA-N
SMILES:
OCC(n1cnc2c1c(=O)[nH]c(n2)N)C=C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.22g/mol
Monoisotopic Mass:
221.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| DNA adducts in rats and mice following exposure to [4-14C]-1,2-epoxy-3-butene and to [2,3-14C]-1,3-butadiene. | Chemico-biological interactions 20040630 |
| A novel DNA adduct, originating from 1,2-epoxy-3,4-butanediol, is the major DNA adduct after exposure to [2,3-(14)C]-1,3-butadiene,[4-(14)C]-1,2-epoxy-3-butane. | Chemico-biological interactions 20010601 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.