Cas no 52158-52-8 (1,2-Ethanediamine, N'-(2-chlorophenyl)-N,N-diethyl-)
52158-52-8 structure
Product Name:1,2-Ethanediamine, N'-(2-chlorophenyl)-N,N-diethyl-
CAS No:52158-52-8
MF:C12H19ClN2
MW:226.745661973953
CID:360406
PubChem ID:418988
Update Time:2025-04-19
1,2-Ethanediamine, N'-(2-chlorophenyl)-N,N-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine, N'-(2-chlorophenyl)-N,N-diethyl-
- N-(2-chlorophenyl)-N',N'-diethylethane-1,2-diamine
- AKOS000253727
- 52158-52-8
- DTXSID50329273
-
- Inchi： 1S/C12H19ClN2/c1-3-15(4-2)10-9-14-12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3
- InChI Key： WVRLJKAVJAFBPP-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1NCCN(CC)CC
Computed Properties
- Exact Mass: 226.12387
- Monoisotopic Mass: 226.1236763g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 160
- 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: 3.3
- Topological Polar Surface Area: 15.3?2
Experimental Properties
- PSA: 15.27
1,2-Ethanediamine, N'-(2-chlorophenyl)-N,N-diethyl- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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