Cas no 52891-01-7 (Ethanol,2,2'-(heptylimino)bis-)
52891-01-7 structure
Product Name:Ethanol,2,2'-(heptylimino)bis-
CAS No:52891-01-7
MF:C11H25NO2
MW:203.321703672409
CID:375931
PubChem ID:104349
Update Time:2025-04-19
Ethanol,2,2'-(heptylimino)bis- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,2,2'-(heptylimino)bis-
- 2,2'-(heptylimino)bisethanol
- 2-[heptyl(2-hydroxyethyl)amino]ethanol
- 2,2'-(heptylimino)diethanol
- SCHEMBL1290423
- NS00032607
- YRQDJBCEANHKAV-UHFFFAOYSA-N
- 52891-01-7
- AKOS011296926
- DTXSID10200933
- EINECS 258-238-8
- heptyldiethanolamine
- n-heptyldiethanolamine
-
- Inchi： 1S/C11H25NO2/c1-2-3-4-5-6-7-12(8-10-13)9-11-14/h13-14H,2-11H2,1H3
- InChI Key： YRQDJBCEANHKAV-UHFFFAOYSA-N
- SMILES： OCCN(CCO)CCCCCCC
Computed Properties
- Exact Mass: 203.18865
- Monoisotopic Mass: 203.188529040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 104
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 43.7?2
Experimental Properties
- PSA: 43.7
Ethanol,2,2'-(heptylimino)bis- Related Literature
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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
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
52891-01-7 (Ethanol,2,2'-(heptylimino)bis-) Related Products
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