Cas no 61485-22-1 (1H-Indazole, 3-(1-methylpropyl)-)
61485-22-1 structure
Product Name:1H-Indazole, 3-(1-methylpropyl)-
CAS No:61485-22-1
MF:C11H14N2
MW:174.242262363434
CID:477686
PubChem ID:12297616
Update Time:2025-04-19
1H-Indazole, 3-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 3-(1-methylpropyl)-
- 3-butan-2-yl-2H-indazole
- 61485-22-1
- SCHEMBL19308854
- DTXSID60485834
- SCHEMBL13948936
- SCHEMBL18559460
-
- Inchi： 1S/C11H14N2/c1-3-8(2)11-9-6-4-5-7-10(9)12-13-11/h4-8H,3H2,1-2H3,(H,12,13)
- InChI Key： HUSDCLOYEDNFGW-UHFFFAOYSA-N
- SMILES： N1C(=C2C=CC=CC2=N1)C(C)CC
Computed Properties
- Exact Mass: 174.11582
- Monoisotopic Mass: 174.115698455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 3.1
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
1H-Indazole, 3-(1-methylpropyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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