Cas no 5873-55-2 (1-(2,3-dimethoxybenzyl)-4-(3-methoxybenzyl)piperazine)
5873-55-2 structure
Product Name:1-(2,3-dimethoxybenzyl)-4-(3-methoxybenzyl)piperazine
CAS No:5873-55-2
MF:C21H28N2O3
MW:356.458625793457
CID:1612106
PubChem ID:1126292
Update Time:2025-04-21
1-(2,3-dimethoxybenzyl)-4-(3-methoxybenzyl)piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,3-dimethoxybenzyl)-4-(3-methoxybenzyl)piperazine
- 1-(2,3-Dimethoxy-benzyl)-4-(3-methoxy-benzyl)-piperazine
- piperazine, 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]-
- 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
- AKOS000554024
- CB00549
- STK145383
- DTXSID30360568
- SMSF0008919
- Cambridge id 5873552
- AB00099958-01
- 356084-54-3
- Oprea1_302038
- 5873-55-2
- AK-968/13149924
- Oprea1_112531
-
- Inchi： 1S/C21H28N2O3/c1-24-19-8-4-6-17(14-19)15-22-10-12-23(13-11-22)16-18-7-5-9-20(25-2)21(18)26-3/h4-9,14H,10-13,15-16H2,1-3H3
- InChI Key： ZYFXJPFVVOCOGE-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC=CC=1CN1CCN(CC2C=CC=C(C=2)OC)CC1)OC
Computed Properties
- Exact Mass: 356.21014
- Monoisotopic Mass: 356.209993
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 7
- Complexity: 401
- 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: 34.2
- Surface Charge: 0
- XLogP3: 3
Experimental Properties
- Density: 1.123
- Boiling Point: 461.5°C at 760 mmHg
- Flash Point: 128°C
- Refractive Index: 1.569
- PSA: 34.17
- LogP: 3
1-(2,3-dimethoxybenzyl)-4-(3-methoxybenzyl)piperazine Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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