Cas no 20429-59-8 (1-methyl-4-(3,4,5-trimethoxybenzyl)piperazine)
20429-59-8 structure
Product Name:1-methyl-4-(3,4,5-trimethoxybenzyl)piperazine
CAS No:20429-59-8
MF:C15H25ClN2O3
MW:316.823603391647
CID:909762
PubChem ID:54605433
Update Time:2025-04-19
1-methyl-4-(3,4,5-trimethoxybenzyl)piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-4-(3,4,5-trimethoxybenzyl)piperazine
- 1-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine,hydrochloride
- NSC30429
- NSC-30429
- DTXSID20714031
- 1-Methyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine--hydrogen chloride (1/1)
- 20429-59-8
- 1-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
- DS-003102
-
- Inchi： 1S/C15H24N2O3.ClH/c1-16-5-7-17(8-6-16)11-12-9-13(18-2)15(20-4)14(10-12)19-3;/h9-10H,5-8,11H2,1-4H3;1H
- InChI Key： QXBSBFLVIHTHMG-UHFFFAOYSA-N
- SMILES： Cl.O(C)C1C(=C(C=C(C=1)CN1CCN(C)CC1)OC)OC
Computed Properties
- Exact Mass: 280.17882
- Monoisotopic Mass: 316.155
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 268
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.2A^2
Experimental Properties
- Density: 1.082
- Boiling Point: 371.3°C at 760 mmHg
- Flash Point: 105.8°C
- Refractive Index: 1.526
- PSA: 34.17
- LogP: 2.13760
1-methyl-4-(3,4,5-trimethoxybenzyl)piperazine Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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