beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-
3-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid
Also Known As: beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-|N-((2-Chloroethyl)nitrosocarbamoyl)-beta-alanine|beta-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-|3-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid|1-(2-Chloroethyl)-1-nitroso-3-(2-carboxyethyl)-urea|N-[(2-chloroethyl)(nitroso)carbamoyl]-beta-alanine|N-[[(2-Chloroethyl)nitrosoamino]carbonyl]-beta-alanine
| Molecular Formula | C6H10ClN3O4 |
|---|---|
| Molecular Weight | 223.03598 g/mol |
| LogP | 0.39 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.03598 |
| Heavy Atoms | 14 |
| Complexity | 223.1 |
Chemical Identifiers
| CAS Number | 79955-38-7 |
|---|---|
| SMILES | C(CNC(=O)N(CCCl)N=O)C(=O)O |
Product Overview
beta-Alanine, N-((2-chloroethyl)nitrosocarbamoyl)- (CAS 79955-38-7), with molecular formula C6H10ClN3O4 and molecular weight 223.03598 g/mol. IUPAC: 3-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoic acid.
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