Cas no 681441-18-9 (Benzenamine, 4-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethyl-)
681441-18-9 structure
Product Name:Benzenamine, 4-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethyl-
CAS No:681441-18-9
MF:C11H12BrN3
MW:266.13708114624
CID:4141806
PubChem ID:60055812
Update Time:2025-04-24
Benzenamine, 4-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethyl-
- 681441-18-9
- 4-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethylBenzenamine
- DTXSID101224802
- SCHEMBL6359249
- DB-117501
-
- Inchi： 1S/C11H12BrN3/c1-14(2)10-3-5-11(6-4-10)15-8-9(12)7-13-15/h3-8H,1-2H3
- InChI Key： KFRHEGDANSXADR-UHFFFAOYSA-N
- SMILES： C1(N(C)C)=CC=C(N2C=C(Br)C=N2)C=C1
Computed Properties
- Exact Mass: 265.02146Da
- Monoisotopic Mass: 265.02146Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 202
- 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: 2.7
- Topological Polar Surface Area: 21.1?2
Benzenamine, 4-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethyl- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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