Cas no 220465-91-8 (Benzenamine,2-(1-propyn-1-yl)-)
220465-91-8 structure
Product Name:Benzenamine,2-(1-propyn-1-yl)-
CAS No:220465-91-8
MF:C9H9N
MW:131.174462080002
CID:243947
PubChem ID:10773008
Update Time:2025-04-19
Benzenamine,2-(1-propyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,2-(1-propyn-1-yl)-
- Benzenamine,2-(1-propynyl)- (9CI)
- 2-prop-1-ynylaniline
- SCHEMBL449613
- 2-(prop-1-yn-1-yl)aniline
- 220465-91-8
- AKOS006338177
- DTXSID30444594
-
- Inchi： 1S/C9H9N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,10H2,1H3
- InChI Key： RTNLLPNKFCHQEI-UHFFFAOYSA-N
- SMILES： NC1C=CC=CC=1C#CC
Computed Properties
- Exact Mass: 131.07357
- Monoisotopic Mass: 131.073499291g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 160
- 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
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine,2-(1-propyn-1-yl)- Related Literature
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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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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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