Cas no 439902-04-2 (1H-Pyrazole-1-aceticacid, 4,5-diamino-)
439902-04-2 structure
Product Name:1H-Pyrazole-1-aceticacid, 4,5-diamino-
CAS No:439902-04-2
MF:C5H8N4O2
MW:156.14262008667
CID:327273
PubChem ID:17957651
Update Time:2025-04-19
1H-Pyrazole-1-aceticacid, 4,5-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-1-aceticacid, 4,5-diamino-
- 1H-Pyrazole-1-aceticacid,4,5-diamino-(9CI)
- 2-(4,5-diaminopyrazol-1-yl)acetic acid
- 4,5-diamino-1H-Pyrazole-1-acetic acid
- 1H-Pyrazole-1-aceticacid,4,5-diamino
- FT-0718012
- 439902-04-2
- (4,5-Diamino-1H-pyrazol-1-yl)acetic acid
- DTXSID00591741
- 2-(4,5-Diamino-1H-pyrazol-1-yl)acetic acid
- SCHEMBL1803279
-
- Inchi： 1S/C5H8N4O2/c6-3-1-8-9(5(3)7)2-4(10)11/h1H,2,6-7H2,(H,10,11)
- InChI Key： NVLQHNVHEXFERZ-UHFFFAOYSA-N
- SMILES： OC(CN1C(=C(C=N1)N)N)=O
Computed Properties
- Exact Mass: 156.06500
- Monoisotopic Mass: 156.06472551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 163
- 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: -1.1
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 107.16000
- LogP: 0.29450
1H-Pyrazole-1-aceticacid, 4,5-diamino- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Wan Lab Chip, 2020,20, 4528-4538
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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