Cas no 105602-19-5 (1H-Pyrazol-5-amine, 1-(4-aminophenyl)-3-methyl-)
105602-19-5 structure
Product Name:1H-Pyrazol-5-amine, 1-(4-aminophenyl)-3-methyl-
CAS No:105602-19-5
MF:C10H12N4
MW:188.22908115387
CID:1157587
Update Time:2024-07-26
1H-Pyrazol-5-amine, 1-(4-aminophenyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazol-5-amine, 1-(4-aminophenyl)-3-methyl-
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- Inchi： 1S/C10H12N4/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,11-12H2,1H3
- InChI Key： IMSSTSGPJXKUNT-UHFFFAOYSA-N
- SMILES： N1(C2=CC=C(N)C=C2)C(N)=CC(C)=N1
Computed Properties
- Exact Mass: 188.10636
- Monoisotopic Mass: 188.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 189
- 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: 69.9A^2
Experimental Properties
- Density: 1.30±0.1 g/cm3(Predicted)
- Boiling Point: 404.3±35.0 °C(Predicted)
- PSA: 69.86
- pka: 4.67±0.10(Predicted)
1H-Pyrazol-5-amine, 1-(4-aminophenyl)-3-methyl- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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