Cas no 474452-22-7 (Benzenamine, 3-ethynyl-2,6-dimethyl- (9CI))
474452-22-7 structure
Product Name:Benzenamine, 3-ethynyl-2,6-dimethyl- (9CI)
CAS No:474452-22-7
MF:C10H11N
MW:145.201042413712
CID:1022687
PubChem ID:45078901
Update Time:2025-04-20
Benzenamine, 3-ethynyl-2,6-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3-ethynyl-2,6-dimethyl- (9CI)
- 3-ethynyl-2,6-dimethylaniline
- BENZENAMINE, 3-ETHYNYL-2,6-DIMETHYL-
- 474452-22-7
- Benzenamine,3-ethynyl-2,6-dimethyl-(9ci)
- DTXSID60663615
- DB-285099
-
- Inchi： 1S/C10H11N/c1-4-9-6-5-7(2)10(11)8(9)3/h1,5-6H,11H2,2-3H3
- InChI Key： ZFQGHNSTXQSFLB-UHFFFAOYSA-N
- SMILES： NC1C(C)=CC=C(C#C)C=1C
Computed Properties
- Exact Mass: 145.089149355g/mol
- Monoisotopic Mass: 145.089149355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 177
- 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: 26?2
Benzenamine, 3-ethynyl-2,6-dimethyl- (9CI) Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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