Cas no 17910-40-6 (1-methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-piperazine)
17910-40-6 structure
Product Name:1-methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-piperazine
CAS No:17910-40-6
MF:C16H24N2
MW:244.375164031982
CID:906706
PubChem ID:215134
Update Time:2025-04-19
1-methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-piperazine
- 1-methyl-4-(6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-yl)-piperazine; 5-& lt; 4-Methyl-piperazinyl-(1)& gt; -6.7.8.9.-tetrahydro-5H-benzocyclohepte; 5-< 4-Methyl-piperazinyl-(1)> -6.7.8.9.-tetrahydro-5H-benzocyclohepten;
- NSC147890
- 17910-40-6
- SCHEMBL6002219
- NSC-147890
-
- Inchi： 1S/C16H24N2/c1-17-10-12-18(13-11-17)16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,16H,3,5,7,9-13H2,1H3
- InChI Key： OSZANGXLRGNTMM-UHFFFAOYSA-N
- SMILES： N1(CCN(C)CC1)C1C2C=CC=CC=2CCCC1
Computed Properties
- Exact Mass: 244.19400
- Monoisotopic Mass: 244.193948774g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48000
- LogP: 2.57730
1-methyl-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-piperazine Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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