Cas no 155935-26-5 (2H-Indazole,4,5,6,7-tetrahydro-2,3-dimethyl-)
155935-26-5 structure
Product Name:2H-Indazole,4,5,6,7-tetrahydro-2,3-dimethyl-
CAS No:155935-26-5
MF:C9H14N2
MW:150.220861911774
CID:107212
PubChem ID:23279522
Update Time:2025-04-18
2H-Indazole,4,5,6,7-tetrahydro-2,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Indazole,4,5,6,7-tetrahydro-2,3-dimethyl-
- 2H-Indazole, 4,5,6,7-tetrahydro-2,3-dimethyl-
- 2,3-Dimethyl-4,5,6,7-tetrahydro-2H-indazole
- 155935-26-5
- 2,3-dimethyl-4,5,6,7-tetrahydroindazole
- SCHEMBL13684197
-
- Inchi： 1S/C9H14N2/c1-7-8-5-3-4-6-9(8)10-11(7)2/h3-6H2,1-2H3
- InChI Key： NHTFHOKKWNDJCK-UHFFFAOYSA-N
- SMILES： N1(C)C(C)=C2C(CCCC2)=N1
Computed Properties
- Exact Mass: 150.11582
- Monoisotopic Mass: 150.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 147
- 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: 17.8A^2
- XLogP3: 1.9
Experimental Properties
- PSA: 17.82
2H-Indazole,4,5,6,7-tetrahydro-2,3-dimethyl- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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