Cas no 111121-60-9 (2-Propanol, 1-(ethylphenylamino)-3-(phenylamino)-)
111121-60-9 structure
Product Name:2-Propanol, 1-(ethylphenylamino)-3-(phenylamino)-
CAS No:111121-60-9
MF:C17H22N2O
MW:270.369384288788
CID:1196597
PubChem ID:71335479
Update Time:2025-04-20
2-Propanol, 1-(ethylphenylamino)-3-(phenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-(ethylphenylamino)-3-(phenylamino)-
- 1-anilino-3-(N-ethylanilino)propan-2-ol
- 1-Anilino-3-[ethyl(phenyl)amino]propan-2-ol
- DTXSID50763436
- 3-anilino-1-(N-ethylanilino)propan-2-ol
- 111121-60-9
-
- Inchi： 1S/C17H22N2O/c1-2-19(16-11-7-4-8-12-16)14-17(20)13-18-15-9-5-3-6-10-15/h3-12,17-18,20H,2,13-14H2,1H3
- InChI Key： TWTIISCBVZGIHA-UHFFFAOYSA-N
- SMILES： OC(CNC1C=CC=CC=1)CN(C1C=CC=CC=1)CC
Computed Properties
- Exact Mass: 270.17336
- Monoisotopic Mass: 270.173213330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 247
- 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: 3.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.5
2-Propanol, 1-(ethylphenylamino)-3-(phenylamino)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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