Cas no 15628-99-6 (Nickel,bis(L-asparaginato-N2,O1)- (9CI))
15628-99-6 structure
Product Name:Nickel,bis(L-asparaginato-N2,O1)- (9CI)
CAS No:15628-99-6
MF:C8H14N4NiO6
MW:320.913362979889
CID:220184
PubChem ID:426302
Update Time:2025-04-19
Nickel,bis(L-asparaginato-N2,O1)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Nickel,bis(L-asparaginato-N2,O1)- (9CI)
- (3-amino-1-carboxy-3-oxopropyl)azanide,nickel(2+)
- NSC-218490
- NSC-186327
- 15628-99-6
- NSC186327
- NSC218490
-
- Inchi： 1S/2C4H7N2O3.Ni/c2*5-2(4(8)9)1-3(6)7;/h2*2,5H,1H2,(H2,6,7)(H,8,9);/q2*-1;+2
- InChI Key： PSJFARHZXULIAG-UHFFFAOYSA-N
- SMILES： [Ni+2].OC(C(CC(N)=O)[NH-])=O.OC(C(CC(N)=O)[NH-])=O
Computed Properties
- Exact Mass: 320.02672
- Monoisotopic Mass: 320.027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 134
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 163A^2
Experimental Properties
- Boiling Point: 438°C at 760 mmHg
- Flash Point: 218.7°C
- PSA: 208.38
Nickel,bis(L-asparaginato-N2,O1)- (9CI) Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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