Cas no 175700-82-0 (3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-(2-hydroxyethyl)-)
175700-82-0 structure
Product Name:3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-(2-hydroxyethyl)-
CAS No:175700-82-0
MF:C5H10N4O2
MW:158.15850019455
CID:112131
PubChem ID:15345781
Update Time:2025-04-18
3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-(2-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-(2-hydroxyethyl)-
- 3H-Pyrazol-3-one, 4,5-diamino-1,2-dihydro-1-(2-hydroxyethyl)-
- SCHEMBL2953524
- 4,5-Diamino-1-(2-hydroxyethyl)-1H-pyrazol-3(2H)-one
- 175700-82-0
- 3,4-Diamino-2-(2-hydroxyethyl)-1H-pyrazol-5-one
-
- Inchi： 1S/C5H10N4O2/c6-3-4(7)9(1-2-10)8-5(3)11/h10H,1-2,6-7H2,(H,8,11)
- InChI Key： WOEOFDCHIXMRHV-UHFFFAOYSA-N
- SMILES： OCCN1C(=C(C(N1)=O)N)N
Computed Properties
- Exact Mass: 158.0805
- Monoisotopic Mass: 158.08037557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 213
- 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: -1.8
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 104.61
3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-(2-hydroxyethyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
175700-82-0 (3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-(2-hydroxyethyl)-) Related Products
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