Cas no 86099-77-6 (Benzenamine,N-(ethyl-2,2,2-d3)- (9CI))
86099-77-6 structure
Product Name:Benzenamine,N-(ethyl-2,2,2-d3)- (9CI)
CAS No:86099-77-6
MF:C8H11N
MW:124.198127031326
CID:720828
Update Time:2024-01-31
Benzenamine,N-(ethyl-2,2,2-d3)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzenamine,N-(ethyl-2,2,2-d3)- (9CI)
- 4-(DIFLUOROMETHOXY)TOLUENE
- N-ETHYL-2,2,2-D3-ANILINE
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- Inchi: 1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3/i1D3
- InChI Key: OJGMBLNIHDZDGS-FIBGUPNXSA-N
- SMILES: C([2H])([2H])([2H])CNC1C=CC=CC=1
Computed Properties
- Exact Mass: 124.108
- Monoisotopic Mass: 124.108
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 65
- 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
- XLogP3: 2.2
- Topological Polar Surface Area: 12A^2
Benzenamine,N-(ethyl-2,2,2-d3)- (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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