Cas no 681441-12-3 (BENZENAMINE, 4-(4-BROMO-3-METHYL-1H-PYRAZOL-1-YL)-N,N-DIMETHYL-)
681441-12-3 structure
Product Name:BENZENAMINE, 4-(4-BROMO-3-METHYL-1H-PYRAZOL-1-YL)-N,N-DIMETHYL-
CAS No:681441-12-3
MF:C12H14BrN3
MW:280.16366147995
CID:3360775
PubChem ID:60055818
Update Time:2025-04-21
BENZENAMINE, 4-(4-BROMO-3-METHYL-1H-PYRAZOL-1-YL)-N,N-DIMETHYL- Chemical and Physical Properties
Names and Identifiers
-
- BENZENAMINE, 4-(4-BROMO-3-METHYL-1H-PYRAZOL-1-YL)-N,N-DIMETHYL-
- SCHEMBL6352725
- DB-117504
- KBCKFLHLQRDQLM-UHFFFAOYSA-N
- 681441-12-3
- 4-Bromo-1-(4-dimethylaminophenyl)-3-methylpyrazole
-
- Inchi： 1S/C12H14BrN3/c1-9-12(13)8-16(14-9)11-6-4-10(5-7-11)15(2)3/h4-8H,1-3H3
- InChI Key： KBCKFLHLQRDQLM-UHFFFAOYSA-N
- SMILES： C1(N(C)C)=CC=C(N2C=C(Br)C(C)=N2)C=C1
Computed Properties
- Exact Mass: 279.03711Da
- Monoisotopic Mass: 279.03711Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 226
- 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: 3.1
- Topological Polar Surface Area: 21.1?2
BENZENAMINE, 4-(4-BROMO-3-METHYL-1H-PYRAZOL-1-YL)-N,N-DIMETHYL- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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