Cas no 5410-00-4 (Benzenemethanamine,2,4-dichloro-N,N-bis[(4-chlorophenyl)methyl]-)
![Benzenemethanamine,2,4-dichloro-N,N-bis[(4-chlorophenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/5500/5410-00-4x500.png)
5410-00-4 structure
Product Name:Benzenemethanamine,2,4-dichloro-N,N-bis[(4-chlorophenyl)methyl]-
CAS No:5410-00-4
MF:C21H17Cl4N
MW:425.178381681442
CID:380605
PubChem ID:224221
Update Time:2025-04-19
Benzenemethanamine,2,4-dichloro-N,N-bis[(4-chlorophenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,2,4-dichloro-N,N-bis[(4-chlorophenyl)methyl]-
- NSC-12557
- NSC12557
- 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-[(2,4-dichlorophenyl)methyl]methanamine
- DTXSID60968975
- 5410-00-4
-
- Inchi： 1S/C21H17Cl4N/c22-18-6-1-15(2-7-18)12-26(13-16-3-8-19(23)9-4-16)14-17-5-10-20(24)11-21(17)25/h1-11H,12-14H2
- InChI Key： WMFMWXJGYHCEBF-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1CN(CC1C=CC(=CC=1)Cl)CC1C=CC(=CC=1)Cl)Cl
Computed Properties
- Exact Mass: 423.01181
- Monoisotopic Mass: 423.011510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 381
- 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
- XLogP3: 7.5
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
Benzenemethanamine,2,4-dichloro-N,N-bis[(4-chlorophenyl)methyl]- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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