Calcium N-carbamoylaspartate

Base Information

• Chemical Name: Calcium N-carbamoylaspartate
• CAS No.: 16649-79-9
• Molecular Formula: C5H8 N2 O5 . Ca
• Molecular Weight: 214.18954
• European Community (EC) Number: 240-698-6
• UNII: 27WBK1452C
• DSSTox Substance ID: DTXSID20937203
• Nikkaji Number: J9.665B
• Wikidata: Q27254239
• Mol file: 16649-79-9.mol

Synonyms:Calcium N-carbamoylaspartate;16649-79-9;Calcium N-(aminocarbonyl)-L-aspartate;UNII-27WBK1452C;27WBK1452C;EINECS 240-698-6;calcium;(2S)-2-(carbamoylamino)butanedioate;N-carbamoylaspartic acid calcium salt;SCHEMBL1435508;DTXSID20937203;L-Aspartic acid, N-(aminocarbonyl)-, calcium salt (1:1);KGWAITXYALRFDQ-DKWTVANSSA-L;CALCIUM N-CARBAMOYLASPARTATE, L-;CALCIUM N-CARBAMOYLASPARTATE [MI];NS00084254;NS00086036;Q27254239

Chemical Property of Calcium N-carbamoylaspartate

Chemical Property:

• Boiling Point: 366.4°Cat760mmHg
• Flash Point: 175.4°C
• PSA: 129.72000
• Density: g/cm³
• LogP: -0.32620
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 213.9902621
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C(C(C(=O)[O-])NC(=O)N)C(=O)[O-].[Ca+2]
• Isomeric SMILES: C([C@@H](C(=O)[O-])NC(=O)N)C(=O)[O-].[Ca+2]

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