Cas no 51775-26-9 (4-Imidazolidinehexanoic acid, 2-oxo-)
51775-26-9 structure
Product Name:4-Imidazolidinehexanoic acid, 2-oxo-
CAS No:51775-26-9
MF:C9H16N2O3
MW:200.234942436218
CID:361437
PubChem ID:21586236
Update Time:2025-04-19
4-Imidazolidinehexanoic acid, 2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Imidazolidinehexanoic acid, 2-oxo-
- 6-(2-oxoimidazolidin-4-yl)hexanoic acid
- CHEMBL2286782
- 51775-26-9
- DTXSID80616148
-
- Inchi： 1S/C9H16N2O3/c12-8(13)5-3-1-2-4-7-6-10-9(14)11-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)
- InChI Key： XLSSQNJMENVFNN-UHFFFAOYSA-N
- SMILES： O=C1NCC(CCCCCC(=O)O)N1
Computed Properties
- Exact Mass: 200.11618
- Monoisotopic Mass: 200.11609238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 78.43
4-Imidazolidinehexanoic acid, 2-oxo- Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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