Cas no 78946-83-5 (1,4,7,10,13-Pentaoxa-16-azacyclooctadecane,14,18-dimethyl-, (14R*,18R*)- (9CI))
78946-83-5 structure
Product Name:1,4,7,10,13-Pentaoxa-16-azacyclooctadecane,14,18-dimethyl-, (14R*,18R*)- (9CI)
CAS No:78946-83-5
MF:C14H29NO5
MW:291.383764982224
CID:569870
PubChem ID:44149956
Update Time:2025-04-19
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane,14,18-dimethyl-, (14R*,18R*)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane,14,18-dimethyl-, (14R*,18R*)- (9CI)
- (14R*,18R*)-14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
- (14R,18R)-14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
- 14,18-dimethyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
- DTXSID50229401
- EINECS 279-010-4
- 78946-83-5
-
- Inchi： 1S/C14H29NO5/c1-13-11-15-12-14(2)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h13-15H,3-12H2,1-2H3/t13-,14-/m1/s1
- InChI Key： FVBSVZZRWQOUPT-ZIAGYGMSSA-N
- SMILES： O1CCOCCOCCOCCO[C@H](C)CNC[C@H]1C
Computed Properties
- Exact Mass: 291.205
- Monoisotopic Mass: 291.205
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.2A^2
- XLogP3: -0.3
Experimental Properties
- Density: 0.938
- Boiling Point: 415.7°C at 760 mmHg
- Flash Point: 176.7°C
- Refractive Index: 1.405
1,4,7,10,13-Pentaoxa-16-azacyclooctadecane,14,18-dimethyl-, (14R*,18R*)- (9CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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