Cas no 109241-54-5 (1H-Imidazole-5-ethanamine,N-chloro-)
109241-54-5 structure
Product Name:1H-Imidazole-5-ethanamine,N-chloro-
CAS No:109241-54-5
MF:C5H8ClN3
MW:145.590119361877
CID:223779
PubChem ID:135710
Update Time:2025-04-19
1H-Imidazole-5-ethanamine,N-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-ethanamine,N-chloro-
- N-chloro-2-(1H-imidazol-5-yl)ethanamine
- N-Chloro-2-(1H-imidazol-4-yl)ethanamine
- DTXSID00148855
- 1H-Imidazole-4-ethanamine, N-chloro-
- N-Chloro-1H-imidazole-4-ethanamine
- SCHEMBL3379483
- AKOS006377224
- 109241-54-5
- chlorohistamine
-
- Inchi： 1S/C5H8ClN3/c6-9-2-1-5-3-7-4-8-5/h3-4,9H,1-2H2,(H,7,8)
- InChI Key： YUCOVYKZDMXLIN-UHFFFAOYSA-N
- SMILES： ClNCCC1=CN=CN1
Computed Properties
- Exact Mass: 144.03301
- Monoisotopic Mass: 145.0406750g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 78.6
- 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: 0.1
- Topological Polar Surface Area: 40.7?2
Experimental Properties
- PSA: 37.81
1H-Imidazole-5-ethanamine,N-chloro- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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