Cas no 6268-76-4 ( )
structure
Product Name:
CAS No:6268-76-4
MF:C7H15Br2NO
MW:289.008100748062
CID:957239
PubChem ID:24184487
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-bromoethyl)-4-methylmorpholin-4-ium,bromide
- 4-(2-Brom-aethyl)-4-methyl-morpholinium, Bromid
- 4-(2-bromo-ethyl)-4-methyl-morpholinium, bromide
- KB-237444
- NSC34637
- DS-014465
- NSC-34637
- 4-(2-bromoethyl)-4-methylmorpholin-4-ium bromide
- 6268-76-4
- DTXSID10636910
- 4-(2-bromoethyl)-4-methyl-1-oxa-4-azoniacyclohexane
-
-
- Inchi： 1S/C7H15BrNO.BrH/c1-9(3-2-8)4-6-10-7-5-9;/h2-7H2,1H3;1H/q+1;/p-1
- InChI Key： NMHIUCBQRSFAJN-UHFFFAOYSA-M
- SMILES： BrCC[N+]1(C)CCOCC1.[Br-]
Computed Properties
- Exact Mass: 208.03375
- Monoisotopic Mass: 286.952
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 102
- 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: 9.2A^2
Experimental Properties
- PSA: 9.23
- LogP: -2.17910
Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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