Cas no 105829-50-3 (1,2-Ethanediamine, N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-)
![1,2-Ethanediamine, N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]- structure](https://ossimg.kuujia.com/scimg/106000/105829-50-3x500.png)
105829-50-3 structure
Product Name:1,2-Ethanediamine, N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-
CAS No:105829-50-3
MF:C8H16N4
MW:168.239440917969
CID:1161336
PubChem ID:14009898
Update Time:2025-04-20
1,2-Ethanediamine, N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine, N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-
- DTXSID601201356
- SCHEMBL335165
- 105829-50-3
- AKOS011066184
- RCTKPYZUMWNCQU-UHFFFAOYSA-N
- N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]ethane-1,2-diamine
- N1-[1-(1-Methyl-1H-pyrazol-4-yl)ethyl]-1,2-ethanediamine
-
- Inchi： 1S/C8H16N4/c1-7(10-4-3-9)8-5-11-12(2)6-8/h5-7,10H,3-4,9H2,1-2H3
- InChI Key： RCTKPYZUMWNCQU-UHFFFAOYSA-N
- SMILES： N(CCN)C(C)C1C=NN(C)C=1
Computed Properties
- Exact Mass: 168.137496527g/mol
- Monoisotopic Mass: 168.137496527g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 55.9?2
1,2-Ethanediamine, N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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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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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
105829-50-3 (1,2-Ethanediamine, N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-) Related Products
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