Cas no 113012-15-0 (Benzenamine, 2-[5-methyl-3-(1-methylethyl)-1H-pyrazol-4-yl]- (9CI))
![Benzenamine, 2-[5-methyl-3-(1-methylethyl)-1H-pyrazol-4-yl]- (9CI) structure](https://ossimg.kuujia.com/scimg/113500/113012-15-0x500.png)
113012-15-0 structure
Product Name:Benzenamine, 2-[5-methyl-3-(1-methylethyl)-1H-pyrazol-4-yl]- (9CI)
CAS No:113012-15-0
MF:C13H17N3
MW:215.294182538986
CID:105990
PubChem ID:45097415
Update Time:2025-04-18
Benzenamine, 2-[5-methyl-3-(1-methylethyl)-1H-pyrazol-4-yl]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 2-[5-methyl-3-(1-methylethyl)-1H-pyrazol-4-yl]- (9CI)
- 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)aniline
- 113012-15-0
- 2-(3-Isopropyl-5-methyl-1H-pyrazol-4-yl)aniline
-
- Inchi： 1S/C13H17N3/c1-8(2)13-12(9(3)15-16-13)10-6-4-5-7-11(10)14/h4-8H,14H2,1-3H3,(H,15,16)
- InChI Key： JZNOTLGGXFYVQD-UHFFFAOYSA-N
- SMILES： N1C(C)=C(C2C=CC=CC=2N)C(C(C)C)=N1
Computed Properties
- Exact Mass: 214.13458
- Monoisotopic Mass: 215.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 229
- 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
- Topological Polar Surface Area: 54.7A^2
- XLogP3: 2.7
Experimental Properties
- PSA: 51.8
Benzenamine, 2-[5-methyl-3-(1-methylethyl)-1H-pyrazol-4-yl]- (9CI) Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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