Cas no 5881-15-2 (1-(3-methoxybenzyl)-4-(2,3,4-trimethoxybenzyl)piperazine)
5881-15-2 structure
Product Name:1-(3-methoxybenzyl)-4-(2,3,4-trimethoxybenzyl)piperazine
CAS No:5881-15-2
MF:C22H30N2O4
MW:386.484606266022
CID:1611280
PubChem ID:1126224
Update Time:2025-04-21
1-(3-methoxybenzyl)-4-(2,3,4-trimethoxybenzyl)piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-methoxybenzyl)-4-(2,3,4-trimethoxybenzyl)piperazine
- 1-(3-Methoxy-benzyl)-4-(2,3,4-trimethoxy-benzyl)-piperazine
- piperazine, 1-[(3-methoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-
- 1-[(3-methoxyphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
- CB00599
- AKOS000554175
- 5881-15-2
- SMSF0009129
- DTXSID90360564
- Oprea1_301964
- AB00100202-01
- Oprea1_001936
- AK-968/13149772
- STK145225
- Cambridge id 5881152
-
- Inchi： 1S/C22H30N2O4/c1-25-19-7-5-6-17(14-19)15-23-10-12-24(13-11-23)16-18-8-9-20(26-2)22(28-4)21(18)27-3/h5-9,14H,10-13,15-16H2,1-4H3
- InChI Key： DDTVSTRQTPHCQM-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=CC=1CN1CCN(CC2C=CC=C(C=2)OC)CC1)OC)OC
Computed Properties
- Exact Mass: 386.2207
- Monoisotopic Mass: 386.220557
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 8
- Complexity: 444
- 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: 43.4
- Surface Charge: 0
- XLogP3: 2.9
Experimental Properties
- Density: 1.132
- Boiling Point: 486.6°C at 760 mmHg
- Flash Point: 133.2°C
- Refractive Index: 1.561
- PSA: 43.4
- LogP: 2.9
1-(3-methoxybenzyl)-4-(2,3,4-trimethoxybenzyl)piperazine Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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