Cas no 30905-63-6 (Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1))
30905-63-6 structure
Product Name:Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1)
CAS No:30905-63-6
MF:C5H6CaN2O5
MW:214.1895403862
CID:310728
PubChem ID:35676
Update Time:2025-04-19
Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1)
- calcium,2-(carbamoylamino)butanedioate
- Aspartic acid, N-carbamoyl-, calcium salt (1:1), DL-
- Calcium DL-N-carbamoylaspartate
- Calcium N-carbamoyl-DL-aspartate
- Calcium N-carbamoyoaspartate DL-form
- Calcium ureidosuccinate
- DL-N-Carbamoylaspartic acid calcium salt
- Pacilan
- DTXSID30953075
- Q27277862
- SCHEMBL1435502
- DL-calcium N-carbamoylaspartate
- calcium;2-(carbamoylamino)butanedioate
- F9OP81SI6Q
- calcium 2-(carbamoylamino)butanedioate
- UNII-F9OP81SI6Q
- CALCIUM N-CARBAMOYLASPARTATE, DL-
- CALCIUM N-CARBAMOYLASPARTATE DL-FORM [MI]
- 30905-63-6
- EINECS 250-383-5
-
- Inchi： 1S/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
- SMILES： [Ca+2].[O-]C(C(CC(=O)[O-])NC(N)=O)=O
Computed Properties
- Exact Mass: 213.99028
- Monoisotopic Mass: 213.990263
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 203
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 135
Experimental Properties
- Melting Point: >350°
- Boiling Point: 366.4°Cat760mmHg
- Flash Point: 175.4°C
- PSA: 135.38
Aspartic acid,N-(aminocarbonyl)-, calcium salt (1:1) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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