Calcium 2-(carbamoylamino)butanedioate (CHEM108010)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 20:00:27 UTC | ||||||||
| Update Date | 2026-04-05 20:00:27 UTC | ||||||||
| Accession Number | CHEM108010 | ||||||||
| Identification | |||||||||
| Common Name | Calcium 2-(carbamoylamino)butanedioate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Calcium 2-(carbamoylamino)butanedioate is an organic compound with the formula C5H6CaN2O5 and an average molecular weight of 214.19 g/mol. Calcium 2-(carbamoylamino)butanedioate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from two recorded sources: household cleaning and consumer products, specifically non electric simulated smoking devices, and electrical and electronic equipment, specifically electrically stimulated smoking devices. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C5H6CaN2O5 | ||||||||
| Average Molecular Mass | 214.190 g/mol | ||||||||
| Monoisotopic Mass | 213.990 g/mol | ||||||||
| CAS Registry Number | 30905-63-6 | ||||||||
| IUPAC Name | Calcium 2-(carbamoylamino)butanedioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Ca++].NC(=O)NC(CC([O-])=O)C([O-])=O | ||||||||
| InChI Identifier | InChI=1/C5H8N2O5.Ca/c6-5(12)7-2(4(10)11)1-3(8)9;/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;+2/p-2 | ||||||||
| InChI Key | KGWAITXYALRFDQ-UHFFFAOYSA-L | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
