Cas no 29458-30-8 (3H-Pyrazol-3-one,2-(4-aminophenyl)-2,4-dihydro-4,5-dimethyl-)
29458-30-8 structure
Product Name:3H-Pyrazol-3-one,2-(4-aminophenyl)-2,4-dihydro-4,5-dimethyl-
CAS No:29458-30-8
MF:C11H13N3O
MW:203.240422010422
CID:272191
PubChem ID:122382
Update Time:2025-04-19
3H-Pyrazol-3-one,2-(4-aminophenyl)-2,4-dihydro-4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one,2-(4-aminophenyl)-2,4-dihydro-4,5-dimethyl-
- 2-(4-aminophenyl)-4,5-dimethyl-4H-pyrazol-3-one
- 2-(4-Aminophenyl)-2,4-dihydro-4,5-dimethyl-3H-pyrazol-3-one
- 2-(4-aminophenyl)-4,5-dimethyl-2,4-dihydro-3H-pyrazol-3-one
- DTXSID20951969
- 1-(4-Aminophenyl)-3,4-dimethyl-1H-pyrazol-5(4H)-one
- EINECS 249-645-1
- NS00049726
- 29458-30-8
-
- Inchi： 1S/C11H13N3O/c1-7-8(2)13-14(11(7)15)10-5-3-9(12)4-6-10/h3-7H,12H2,1-2H3
- InChI Key： UOCOWPDBMOCDPI-UHFFFAOYSA-N
- SMILES： O=C1C(C)C(C)=NN1C1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 203.10599
- Monoisotopic Mass: 203.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 58.7?2
Experimental Properties
- Density: 1.26
- Boiling Point: 426.3°C at 760 mmHg
- Flash Point: 211.6°C
- Refractive Index: 1.636
- PSA: 58.69
3H-Pyrazol-3-one,2-(4-aminophenyl)-2,4-dihydro-4,5-dimethyl- Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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