Cas no 101198-06-5 (Benzenemethanamine,3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-, hydrochloride (1:1))
![Benzenemethanamine,3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/101500/101198-06-5x500.png)
101198-06-5 structure
Product Name:Benzenemethanamine,3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-, hydrochloride (1:1)
CAS No:101198-06-5
MF:C20H28ClNO6
MW:413.892425537109
CID:215695
PubChem ID:58192
Update Time:2025-04-19
Benzenemethanamine,3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-, hydrochloride (1:1)
- bis[(3,4,5-trimethoxyphenyl)methyl]azanium,chloride
- 3,3',4,4',5,5'-Hexamethoxydibenzylamine hydrochloride
- AC1L1OH2
- AC1Q1SAT
- DIBENZYLAMINE, 3,3',4,4',5,5'-HEXAMETHOXY-, HYDROCHLORIDE
- LS-61685
- n-(3,4,5-trimethoxybenzyl)(3,4,5-trimethoxyphenyl)methanaminium chloride
- 101198-06-5
-
- Inchi： 1S/C20H27NO6.ClH/c1-22-15-7-13(8-16(23-2)19(15)26-5)11-21-12-14-9-17(24-3)20(27-6)18(10-14)25-4;/h7-10,21H,11-12H2,1-6H3;1H
- InChI Key： MSYPSCQESOIXJR-UHFFFAOYSA-N
- SMILES： [Cl-].O(C)C1C(=C(C=C(C=1)C[NH2+]CC1C=C(C(=C(C=1)OC)OC)OC)OC)OC
Computed Properties
- Exact Mass: 413.16064
- Monoisotopic Mass: 413.1605153g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 10
- Complexity: 348
- 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: 72?2
Experimental Properties
- PSA: 67.41
Benzenemethanamine,3,4,5-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]-, hydrochloride (1:1) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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