Cas no 5866-21-7 (1-(2,5-dimethoxybenzyl)-4-(3-methylbenzyl)piperazine)
5866-21-7 structure
Product Name:1-(2,5-dimethoxybenzyl)-4-(3-methylbenzyl)piperazine
CAS No:5866-21-7
MF:C21H28N2O2
MW:340.459225654602
CID:1610994
PubChem ID:771996
Update Time:2025-04-21
1-(2,5-dimethoxybenzyl)-4-(3-methylbenzyl)piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,5-dimethoxybenzyl)-4-(3-methylbenzyl)piperazine
- 1-(2,5-Dimethoxy-benzyl)-4-(3-methyl-benzyl)-piperazine
- piperazine, 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]-
- SMSF0008744
- STK145345
- CB00480
- 5866-21-7
- Oprea1_757446
- 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
- AKOS000554150
- Oprea1_033296
- AK-968/13149975
- DTXSID80974199
-
- Inchi： 1S/C21H28N2O2/c1-17-5-4-6-18(13-17)15-22-9-11-23(12-10-22)16-19-14-20(24-2)7-8-21(19)25-3/h4-8,13-14H,9-12,15-16H2,1-3H3
- InChI Key： JKMRZIHRKRDISS-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1CN1CCN(CC2C=CC=C(C)C=2)CC1)OC
Computed Properties
- Exact Mass: 340.21524
- Monoisotopic Mass: 340.215078
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 384
- 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: 24.9
- XLogP3: 3.4
Experimental Properties
- Density: 1.1
- Boiling Point: 456.9°C at 760 mmHg
- Flash Point: 127.5°C
- Refractive Index: 1.573
- PSA: 24.94
1-(2,5-dimethoxybenzyl)-4-(3-methylbenzyl)piperazine Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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