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Home Pyridines 76014-83-0
76014-83-0,MFCD02094290
Catalog No.:AA005GG3

76014-83-0 | 1,4-Butanediol,1-(3-pyridinyl)-

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Purity
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Price(USD)
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10mg
2 weeks  
$1,858.00   $1,300.00
- +
50mg
2 weeks  
$3,654.00   $2,558.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA005GG3
Chemical Name:
1,4-Butanediol,1-(3-pyridinyl)-
CAS Number:
76014-83-0
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD02094290
SMILES:
OCCCC(c1cccnc1)O
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;Inert atmosphere;  

Computed Properties
 
Complexity:
119  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  

Literature

Title: In vivo and in vitro metabolism of tobacco-specific nitrosamine, 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), by the freshwater planarian, Dugesia japonica.

Journal: Chemosphere 20120601

Title: Acute and subacute effects of tobacco alkaloids, tobacco-specific nitrosamines and phenethyl isothiocyanate on N'-nitrosonornicotine metabolism in rats.

Journal: Toxicology 20051115

Title: Identification of O2-substituted pyrimidine adducts formed in reactions of 4-(acetoxymethylnitrosamino)- 1-(3-pyridyl)-1-butanone and 4-(acetoxymethylnitros- amino)-1-(3-pyridyl)-1-butanol with DNA.

Journal: Chemical research in toxicology 20040501

Title: Identification of adducts produced by the reaction of 4-(acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanol with deoxyguanosine and DNA.

Journal: Chemical research in toxicology 20030201

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SDS
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Tags:76014-83-0 Molecular Formula|76014-83-0 MDL|76014-83-0 SMILES|76014-83-0 1,4-Butanediol,1-(3-pyridinyl)-