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Home Amines 85352-99-4
85352-99-4,MFCD03453196
Catalog No.:AA004TZJ

85352-99-4 | 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
2 weeks  
$1,929.00   $1,350.00
- +
25mg
2 weeks  
$4,225.00   $2,958.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA004TZJ
Chemical Name:
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
CAS Number:
85352-99-4
Molecular Formula:
C10H15N3O3
Molecular Weight:
225.2444
MDL Number:
MFCD03453196
SMILES:
O=NN(CCCC(c1ccc[n+](c1)[O-])O)C
Properties
Properties
 
Form:
Solid  
MP:
103-107°C  
Storage:
2-8℃;Inert atmosphere;Light sensitive;  

Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.3  

Literature

Title: Formation and distribution of NNK metabolites in an isolated perfused rat lung.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20100501

Title: Biotransformation and transport of the tobacco-specific carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) in bile duct-cannulated wild-type and Mrp2/Abcc2-deficient (TR ) Wistar rats.

Journal: Carcinogenesis 20071201

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SDS
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Tags:85352-99-4 Molecular Formula|85352-99-4 MDL|85352-99-4 SMILES|85352-99-4 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol