Cas no 18010-05-4 (Isoquinolinium,2-(2-ethoxy-2-oxoethyl)-, bromide (1:1))
18010-05-4 structure
Product Name:Isoquinolinium,2-(2-ethoxy-2-oxoethyl)-, bromide (1:1)
CAS No:18010-05-4
MF:C13H14BrNO2
MW:296.159762859344
CID:169962
PubChem ID:3082124
Update Time:2025-04-19
Isoquinolinium,2-(2-ethoxy-2-oxoethyl)-, bromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Isoquinolinium,2-(2-ethoxy-2-oxoethyl)-, bromide (1:1)
- N-(ethoxycarbonylmethyl)-6-methoxyquinolinium
- 1-(2-ethoxy-2-oxoethyl)-6-methoxyquinolinium
- 2-(2-ethoxy-2-oxoethyl)isoquinolinium bromide
- Isoquinolinium, 2-(2-ethoxy-2-oxoethyl)-, bromide
- Mqae bromide
- N-carbethoxymethylisoquinolinium bromide
- DTXSID40939300
- 18010-05-4
- ethyl 2-isoquinolin-2-ium-2-ylacetate;bromide
- SR-01000312518
- SR-01000312518-1
- 2-(2-Ethoxy-2-oxoethyl)isoquinolin-2-ium bromide
-
- Inchi： 1S/C13H14NO2.BrH/c1-2-16-13(15)10-14-8-7-11-5-3-4-6-12(11)9-14;/h3-9H,2,10H2,1H3;1H/q+1;/p-1
- InChI Key： YTPLJUZIOGNPTJ-UHFFFAOYSA-M
- SMILES： [Br-].O(CC)C(C[N+]1C=CC2C=CC=CC=2C=1)=O
Computed Properties
- Exact Mass: 295.02082
- Monoisotopic Mass: 295.02079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 242
- 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: 30.2?2
Experimental Properties
- PSA: 30.18
Isoquinolinium,2-(2-ethoxy-2-oxoethyl)-, bromide (1:1) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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