Cas no 256413-09-9 (1,4-Butanedione,2,3-dihydroxy-1,4-di-1-pyrrolidinyl-)
256413-09-9 structure
Product Name:1,4-Butanedione,2,3-dihydroxy-1,4-di-1-pyrrolidinyl-
CAS No:256413-09-9
MF:C12H20N2O4
MW:256.298203468323
CID:246885
PubChem ID:2802595
Update Time:2025-04-19
1,4-Butanedione,2,3-dihydroxy-1,4-di-1-pyrrolidinyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanedione,2,3-dihydroxy-1,4-di-1-pyrrolidinyl-
- 1,1'-(2,3-DIHYDROXY-1,4-DIOXO-1,4-BUTANEDIYL)BIS-PYRROLIDINE
- 2,3-Dihydroxy-1,4-di(1-pyrrolidinyl)-1,4-butanedione
- 1,1-(2,3-Dihydroxy-1,4-dioxo-1,4-butanediyl)bis-Pyrrolidine
- 1,4-dioxo-1,4-dipyrrolidin-1-ylbutane-2,3-diol
- 2,3-Dihydroxy-1,4-di-pyrrolidin-1-yl-butane-1,4-dione
- Oprea1_425002
- 2,3-Dihydroxy-1,4-di(pyrrolidin-1-yl)butane-1,4-dione
- Pyrrolidine, 1,1'-(2,3-dihydroxy-1,4-dioxo-1,4-butanediyl)bis-
- IDI1_012268
- CCG-55430
- SR-01000644455-1
- HMS1433I01
- 2,3-dihydroxy-1,4-dipyrrolidin-1-ylbutane-1,4-dione
- BRD-A57942327-001-01-6
- Maybridge3_000881
- SCHEMBL1539202
- FT-0605890
- 256413-09-9
-
- Inchi： 1S/C12H20N2O4/c15-9(11(17)13-5-1-2-6-13)10(16)12(18)14-7-3-4-8-14/h9-10,15-16H,1-8H2
- InChI Key： VWHUHPJIJJEZFI-UHFFFAOYSA-N
- SMILES： OC(C(N1CCCC1)=O)C(C(N1CCCC1)=O)O
Computed Properties
- Exact Mass: 256.1424
- Monoisotopic Mass: 256.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- Density: 1.354
- Boiling Point: 542.8°C at 760 mmHg
- Flash Point: 282.1°C
- Refractive Index: 1.584
- PSA: 81.08
- LogP: -1.17120
1,4-Butanedione,2,3-dihydroxy-1,4-di-1-pyrrolidinyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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