Cas no 5465-21-4 ( )
structure
Product Name:
CAS No:5465-21-4
MF:C12H20ClNO2
MW:245.74570274353
CID:942382
PubChem ID:54605346
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-[2-(diethylamino)ethoxy]phenol,hydrochloride
- NSC28995
- NSC-28995
- 4-[2-(Diethylamino)ethoxy]phenol--hydrogen chloride (1/1)
- DTXSID50714009
- 5465-21-4
-
-
- Inchi： 1S/C12H19NO2.ClH/c1-3-13(4-2)9-10-15-12-7-5-11(14)6-8-12;/h5-8,14H,3-4,9-10H2,1-2H3;1H
- InChI Key： HZSQSPUJRQCCJG-UHFFFAOYSA-N
- SMILES： Cl.O(C1C=CC(=CC=1)O)CCN(CC)CC
Computed Properties
- Exact Mass: 209.14167
- Monoisotopic Mass: 245.118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 152
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.7A^2
Experimental Properties
- Density: 1.037
- Boiling Point: 330.9°C at 760 mmHg
- Flash Point: 154°C
- Refractive Index: 1.523
- PSA: 32.7
- LogP: 2.91480
Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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