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80054-30-4
Catalog No.:AA00557I

80054-30-4 | Phenol, 4-[(1H-purin-6-ylamino)methyl]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
3 weeks  
$272.00   $190.00
- +
5mg
3 weeks  
$342.00   $239.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00557I
Chemical Name:
Phenol, 4-[(1H-purin-6-ylamino)methyl]-
CAS Number:
80054-30-4
Molecular Formula:
C12H11N5O
Molecular Weight:
241.2486
SMILES:
Oc1ccc(cc1)CNc1[nH]cnc2c1ncn2
Properties
Properties
 
MP:
265 - 268℃  
Storage:
-20 ℃;Inert atmosphere;  

Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Literature

Title: NHBA isolated from Gastrodia elata exerts sedative and hypnotic effects in sodium pentobarbital-treated mice.

Journal: Pharmacology, biochemistry, and behavior 20120901

Title: 6-(2-Chloro-benzyl-amino)purinium tetra-chlorido(dimethyl sulfoxide-κO)(nitrosyl-κN)ruthenate(III) monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20080401

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SDS
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Tags:80054-30-4 Molecular Formula|80054-30-4 MDL|80054-30-4 SMILES|80054-30-4 Phenol, 4-[(1H-purin-6-ylamino)methyl]-
Catalog No.: AA00557I
80054-30-4
80054-30-4 | Phenol, 4-[(1H-purin-6-ylamino)methyl]-
Pack Size： 1mg
Purity：
3 weeks
$272.00 $190.00
Pack Size： 5mg
Purity：
3 weeks
$342.00 $239.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00557I
Chemical Name: Phenol, 4-[(1H-purin-6-ylamino)methyl]-
CAS Number: 80054-30-4
Molecular Formula: C12H11N5O
Molecular Weight: 241.2486
SMILES: Oc1ccc(cc1)CNc1[nH]cnc2c1ncn2
Properties
MP: 265 - 268℃  
Storage: -20 ℃;Inert atmosphere;  
Complexity: 269  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Literature fold

Title: NHBA isolated from Gastrodia elata exerts sedative and hypnotic effects in sodium pentobarbital-treated mice.

Journal: Pharmacology, biochemistry, and behavior20120901

Title: 6-(2-Chloro-benzyl-amino)purinium tetra-chlorido(dimethyl sulfoxide-κO)(nitrosyl-κN)ruthenate(III) monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online20080401

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