Cas no 3338-04-3 (2H-Azepine,7-ethyl-3,4,5,6-tetrahydro-)
3338-04-3 structure
Product Name:2H-Azepine,7-ethyl-3,4,5,6-tetrahydro-
CAS No:3338-04-3
MF:C8H15N
MW:125.211402177811
CID:319234
PubChem ID:11970279
Update Time:2025-04-19
2H-Azepine,7-ethyl-3,4,5,6-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepine,7-ethyl-3,4,5,6-tetrahydro-
- 2H-Azepine, 7-ethyl-3,4,5,6-tetrahydro-; 7-Ethyl-3,4,5,6-tetrahydro-2H-azepine
- 2H-Azepine, 7-ethyl-3,4,5,6-tetrahydro-
- DTXSID30187010
- 3338-04-3
- 7-Ethyl-3,4,5,6-tetrahydro-2H-azepine
-
- Inchi： 1S/C8H15N/c1-2-8-6-4-3-5-7-9-8/h2-7H2,1H3
- InChI Key： KOMGPNGZQBIGFV-UHFFFAOYSA-N
- SMILES： N1CCCCCC=1CC
Computed Properties
- Exact Mass: 125.12055
- Monoisotopic Mass: 125.120449
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 105
- 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
- Topological Polar Surface Area: 12.4
- XLogP3: 1.2
Experimental Properties
- Density: 0.91
- Boiling Point: 173.3°Cat760mmHg
- Flash Point: 49.8°C
- Refractive Index: 1.494
- PSA: 12.36
2H-Azepine,7-ethyl-3,4,5,6-tetrahydro- Related Literature
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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