Home Amines 56247-84-8
56247-84-8,MFCD18973249
Catalog No.:AA00DEW5

56247-84-8 | 6H-Purin-6-one, 2-amino-1,7-dihydro-7-(2-hydroxypropyl)-

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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00DEW5
Chemical Name:
6H-Purin-6-one, 2-amino-1,7-dihydro-7-(2-hydroxypropyl)-
CAS Number:
56247-84-8
Molecular Formula:
C8H11N5O2
Molecular Weight:
209.2052
MDL Number:
MFCD18973249
SMILES:
CC(Cn1cnc2c1c(=O)nc([nH]2)N)O
Properties
Computed Properties
 
Complexity:
305  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-1.4  

Literature

Title: Dosimetry by means of DNA and hemoglobin adducts in propylene oxide-exposed rats.

Journal: Toxicology and applied pharmacology 20030915

Title: Molecular dosimetry of N7-(2-hydroxypropyl)guanine in tissues of F344 rats after inhalation exposure to propylene oxide.

Journal: Carcinogenesis 20030701

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Tags:56247-84-8 Molecular Formula|56247-84-8 MDL|56247-84-8 SMILES|56247-84-8 6H-Purin-6-one, 2-amino-1,7-dihydro-7-(2-hydroxypropyl)-