Cas no 81254-04-8 (1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide)
81254-04-8 structure
Product Name:1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide
CAS No:81254-04-8
MF:C16H17BrN2O2
MW:349.222383260727
CID:986565
PubChem ID:149902
Update Time:2025-04-20
1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide
- 2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione,hydrobromide
- 2-(2-(Dimethylamino)ethyl)-1H-benz(de)isoquinoline-1,3(2H)-dione monohydrobromide
- 81254-04-8
- DTXSID80230989
- 1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, monohydrobromide
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- Inchi: 1S/C16H16N2O2.BrH/c1-17(2)9-10-18-15(19)12-7-3-5-11-6-4-8-13(14(11)12)16(18)20;/h3-8H,9-10H2,1-2H3;1H
- InChI Key: VBBFHAUZNRDCBA-UHFFFAOYSA-N
- SMILES: Br.O=C1C2=CC=CC3=CC=CC(C(N1CCN(C)C)=O)=C23
Computed Properties
- Exact Mass: 348.04700
- Monoisotopic Mass: 348.04734g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 377
- 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: 40.6?2
Experimental Properties
- PSA: 42.31000
- LogP: 2.47240
1H-Benz(de)isoquinoline-1,3(2H)-dione, 2-(2-(dimethylamino)ethyl)-, mo nohydrobromide Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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