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Home Carboxys butyl(3-carboxypropyl)nitrosamine

butyl(3-carboxypropyl)nitrosamine

CAS No.:
38252-74-3
Catalog Number:
AG003OM5
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003OM5
Chemical Name:
butyl(3-carboxypropyl)nitrosamine
CAS Number:
38252-74-3
MDL Number:
MFCD00216865
IUPAC Name:
4-[butyl(nitroso)amino]butanoic acid
InChI:
InChI=1S/C8H16N2O3/c1-2-3-6-10(9-13)7-4-5-8(11)12/h2-7H2,1H3,(H,11,12)
InChI Key:
OAAQPYUFAOHUMT-UHFFFAOYSA-N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.116g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.227g/mol
Monoisotopic Mass:
188.116g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Differences in susceptibility to N-butyl-N-(4-hydroxybutyl)nitrosamine-induced urinary bladder carcinogenesis between SD/gShi rats with spontaneous hypospermatogenesis and SD/cShi rats with spontaneous hydronephrosis. Cancer science 20051001
Lack of change in the levels of liver and kidney cytochrome P-450 isozymes in p53+/- knockout mice treated with N-butyl-N-(4-hydroxybutyl)nitrosamine. Mutagenesis 20010901
Properties