Cas no 173994-77-9 (4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE)
173994-77-9 structure
Product Name:4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE
CAS No:173994-77-9
MF:C11H16N4O4S
MW:300.334140777588
CID:906004
PubChem ID:22715265
Update Time:2025-04-19
4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE Chemical and Physical Properties
Names and Identifiers
-
- 4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE
- 2-[(4-methylphenyl)methyl]pyrazole-3,4-diamine;sulfuric acid
- UNII-T60KLL74PP
- Q27289709
- T60KLL74PP
- SCHEMBL2912572
- 1H-Pyrazole-4,5-diamine, 1-((4-methylphenyl)methyl)-, sulfate (2:1)
- 4-Methylbenzyl 4,5-diamino pyrazole sulfate [INCI]
- 173994-77-9
-
- Inchi: 1S/C11H14N4.H2O4S/c1-8-2-4-9(5-3-8)7-15-11(13)10(12)6-14-15;1-5(2,3)4/h2-6H,7,12-13H2,1H3;(H2,1,2,3,4)
- InChI Key: DKOOQFYYTJIURT-UHFFFAOYSA-N
- SMILES: S(=O)(=O)(O)O.N1(C(=C(C=N1)N)N)CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 300.08938
- Monoisotopic Mass: 300.08922618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 282
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 153?2
Experimental Properties
- PSA: 155.32
4-METHYLBENZYL 4,5-DIAMINO PYRAZOLE SULFATE Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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