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20366-83-0 | Phenol, 2-[(9H-purin-6-ylamino)methyl]-
CAS No: 20366-83-0 Catalog No: AG00292G MDL No:
Product Description
Catalog Number:
AG00292G
Chemical Name:
Phenol, 2-[(9H-purin-6-ylamino)methyl]-
CAS Number:
20366-83-0
Molecular Formula:
C12H11N5O
Molecular Weight:
241.2486
IUPAC Name:
2-[(7H-purin-6-ylamino)methyl]phenol
InChI:
InChI=1S/C12H11N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)
InChI Key:
AKOVXPNRITVXAR-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CNc1ncnc2c1nc[nH]2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.254g/mol
Monoisotopic Mass:
241.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthetic, spectral, magnetic and in vitro cytotoxic activity studies of cobalt(II) complexes with cytokinin derivatives: X-ray structure of 6-(3-methoxybenzylamino)purinium chloride monohydrate. | Journal of inorganic biochemistry 20050301 |
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