Cas no 5279-09-4 (1-Propanol,3,3'-(ethylimino)bis-)
5279-09-4 structure
Product Name:1-Propanol,3,3'-(ethylimino)bis-
1-Propanol,3,3'-(ethylimino)bis- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanol,3,3'-(ethylimino)bis-
- NSC326773; AC1L79X6; NSC-326773;
- SCHEMBL465303
- NSC326773
- DTXSID50318162
- NSC-326773
- 3,3'-(Ethylazanediyl)di(propan-1-ol)
- 5279-09-4
-
- Inchi： 1S/C8H19NO2/c1-2-9(5-3-7-10)6-4-8-11/h10-11H,2-8H2,1H3
- InChI Key： LCMXAOABTCMUMR-UHFFFAOYSA-N
- SMILES： OCCCN(CC)CCCO
Computed Properties
- Exact Mass: 161.14167
- Monoisotopic Mass: 161.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 70.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 43.7?2
Experimental Properties
- Density: 0.99
- Boiling Point: 279.1°C at 760 mmHg
- Flash Point: 130.5°C
- Refractive Index: 1.475
- PSA: 43.7
- LogP: 0.07310
1-Propanol,3,3'-(ethylimino)bis- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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