Cas no 102107-49-3 (Benzeneethanamine,3,3'-methylenebis[4-methoxy-N-methyl-, dihydrochloride (9CI))
102107-49-3 structure
Product Name:Benzeneethanamine,3,3'-methylenebis[4-methoxy-N-methyl-, dihydrochloride (9CI)
CAS No:102107-49-3
MF:C21H32Cl2N2O2
MW:415.396984100342
CID:149669
PubChem ID:3064408
Update Time:2025-04-19
Benzeneethanamine,3,3'-methylenebis[4-methoxy-N-methyl-, dihydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-[4-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine,dihydrochloride
- 102107-49-3
- DTXSID00144650
- Phenethylamine, 3,3'-methylenebis(4-methoxy-N-methyl-, dihydrochloride
- Bis(2-methoxy-5-methylaminoethyl)phenyl methane dihydrochloride
- Benzeneethanamine,3,3'-methylenebis[4-methoxy-N-methyl-, dihydrochloride (9CI)
-
- Inchi： 1S/C21H30N2O2.2ClH/c1-22-11-9-16-5-7-20(24-3)18(13-16)15-19-14-17(10-12-23-2)6-8-21(19)25-4;;/h5-8,13-14,22-23H,9-12,15H2,1-4H3;2*1H
- InChI Key： GZJQKOPVAFMKCH-UHFFFAOYSA-N
- SMILES： Cl.Cl.O(C)C1C=CC(CCNC)=CC=1CC1=C(C=CC(CCNC)=C1)OC
Computed Properties
- Exact Mass: 414.18436
- Monoisotopic Mass: 414.184084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 10
- Complexity: 321
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 42.5
Experimental Properties
- Boiling Point: 468.8°C at 760 mmHg
- Flash Point: 205.2°C
- PSA: 42.52
- LogP: 5.20420
Benzeneethanamine,3,3'-methylenebis[4-methoxy-N-methyl-, dihydrochloride (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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