3-(2-Carboxyethyl)cytosine
3-(6-amino-2-oxopyrimidin-1-yl)propanoic acid
Also Known As: 3-Cect|3- cytosine|3-(2-Carboxyethyl)cytosine|KST-1B5334|KST-1B5335|1(2h)-pyrimidinepropanoic acid, 6-amino-2-oxo-|3-(6-amino-2-oxopyrimidin-1(2H)-yl)propanoic acid|3-(6-amino-2-oxopyrimidin-1-yl)propanoic acid|1(2H)-Pyrimidinepropanoic acid, 3,6-dihydro-6-imino-2-oxo-|1(2H)-Pyrimidinepropanoicacid, 3,6-dihydro-6-imino-2-oxo-
CAS: 5452-85-7
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06439 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.06439 |
| Monoisotopic Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 5452-85-7 |
|---|---|
| SMILES | C1=C(N(C(=O)N=C1)CCC(=O)O)N |
| InChIKey | WYZGJTDHNAZBRC-UHFFFAOYSA-N |
Product Overview
3-(2-Carboxyethyl)cytosine (CAS 5452-85-7), with molecular formula C7H9N3O3 and molecular weight 183.06439 g/mol. IUPAC: 3-(6-amino-2-oxopyrimidin-1-yl)propanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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