Cas no 5461-05-2 ( )
structure
Product Name:
CAS No:5461-05-2
MF:C12H28N2O4
MW:264.361723899841
CID:942190
PubChem ID:229899
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 1,1'-{ethane-1,2-diylbis[(2-hydroxyethyl)imino]}dipropan-2-ol; NSC23967; AC1Q7CXI; AC1L5IC1; CTK5A1909; KST-1A9637; AR-1B4254; NSC-23967;
- NSC23967
- 1,1'-{Ethane-1,2-diylbis[(2-hydroxyethyl)azanediyl]}di(propan-2-ol)
- DTXSID50282056
- NSC-23967
- 5461-05-2
-
-
- Inchi： 1S/C12H28N2O4/c1-11(17)9-13(5-7-15)3-4-14(6-8-16)10-12(2)18/h11-12,15-18H,3-10H2,1-2H3
- InChI Key： YSAUZMCRMDSPAA-UHFFFAOYSA-N
- SMILES： OC(C)CN(CCO)CCN(CCO)CC(C)O
Computed Properties
- Exact Mass: 264.20504
- Monoisotopic Mass: 264.204907
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 175
- 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
- Topological Polar Surface Area: 87.4
- XLogP3: -1.6
Experimental Properties
- Density: 1.139
- Boiling Point: 348°C at 760 mmHg
- Flash Point: 142.5°C
- Refractive Index: 1.525
- PSA: 87.4
- LogP: -1.66340
Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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