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13256-22-9 | Acetic acid, 2-(methylnitrosoamino)-
CAS No: 13256-22-9 Catalog No: AG0010U8 MDL No:
Product Description
Catalog Number:
AG0010U8
Chemical Name:
Acetic acid, 2-(methylnitrosoamino)-
CAS Number:
13256-22-9
Molecular Formula:
C3H6N2O3
Molecular Weight:
118.0913
IUPAC Name:
2-[methyl(nitroso)amino]acetic acid
InChI:
InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)
InChI Key:
HJMPSKKJHVWPBK-UHFFFAOYSA-N
SMILES:
O=NN(CC(=O)O)C
UNII:
IRC08HI7YX
RTECS Number:
VQ3150000
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.038g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.092g/mol
Monoisotopic Mass:
118.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| N-Nitrosamines (15 listings): N-Nitrososarcosine. | Report on carcinogens : carcinogen profiles 20110101 |
| Detection of 7-(2'-carboxyethyl)guanine but not 7-carboxymethylguanine in human liver DNA. | Chemical research in toxicology 20100621 |
| Oral creatine supplementation in humans does not elevate urinary excretion of the carcinogen N-nitrososarcosine. | Nutrition (Burbank, Los Angeles County, Calif.) 20060301 |
| Creatine: a safety concern. | Toxicology letters 20040925 |
| The use of creatine to enhance athletic performance. | Nutrition (Burbank, Los Angeles County, Calif.) 20040901 |
| N-Nitrososarcosine. | Report on carcinogens : carcinogen profiles 20040101 |
| Dietary exposure and urinary excretion of total N-nitroso compounds, nitrosamino acids and volatile nitrosamine in inhabitants of high- and low-risk areas for esophageal cancer in southern China. | International journal of cancer 20021120 |
| N-Nitrososarcosine. | Report on carcinogens : carcinogen profiles 20020101 |
| Final report on the safety assessment of Cocoyl Sarcosine, Lauroyl Sarcosine, Myristoyl Sarcosine, Oleoyl Sarcosine, Stearoyl Sarcosine, Sodium Cocoyl Sarcosinate, Sodium Lauroyl Sarcosinate, Sodium Myristoyl Sarcosinate, Ammonium Cocoyl Sarcosinate, and Ammonium Lauroyl Sarcosinate. | International journal of toxicology 20010101 |
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