Cas no 42958-23-6 (4-Methyl-2-propan-2-yl-1H-indole)
42958-23-6 structure
Product Name:4-Methyl-2-propan-2-yl-1H-indole
CAS No:42958-23-6
MF:C12H15N
MW:173.254203081131
CID:325308
Update Time:2023-08-02
4-Methyl-2-propan-2-yl-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole,4-methyl-2-(1-methylethyl)-
- 1H-Indole,4-methyl-2-(1-methylethyl)-(9CI)
- 2-Isopropyl-4-methyl-1H-indole
- 4-Methyl-2-propan-2-yl-1H-indole
-
- Inchi： 1S/C12H15N/c1-8(2)12-7-10-9(3)5-4-6-11(10)13-12/h4-8,13H,1-3H3
- InChI Key： VDTZUJHTJYYLOJ-UHFFFAOYSA-N
- SMILES： N1C2C=CC=C(C)C=2C=C1C(C)C
Computed Properties
- Exact Mass: 173.12
- Monoisotopic Mass: 173.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 15.8
4-Methyl-2-propan-2-yl-1H-indole Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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