Cas no 1394162-62-9 (1H-Pyrazol-4-amine, 1-(2,2-dimethoxyethyl)-)
1394162-62-9 structure
Product Name:1H-Pyrazol-4-amine, 1-(2,2-dimethoxyethyl)-
CAS No:1394162-62-9
MF:C7H13N3O2
MW:171.197021245956
CID:2138212
Update Time:2023-11-19
1H-Pyrazol-4-amine, 1-(2,2-dimethoxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,2-dimethoxyethyl)-1H-pyrazol-4-amine
- 1H-Pyrazol-4-amine, 1-(2,2-dimethoxyethyl)-
- CID 91618573
-
- Inchi： 1S/C7H13N3O2/c1-11-7(12-2)5-10-4-6(8)3-9-10/h3-4,7H,5,8H2,1-2H3
- InChI Key： FGMAKCXOLBBESB-UHFFFAOYSA-N
- SMILES： O(C)C(CN1C=C(C=N1)N)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 130
- Topological Polar Surface Area: 62.3
Experimental Properties
- Density: 1.22±0.1 g/cm3(Predicted)
- Boiling Point: 299.4±35.0 °C(Predicted)
- pka: 3.60±0.10(Predicted)
1H-Pyrazol-4-amine, 1-(2,2-dimethoxyethyl)- Related Literature
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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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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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