Cas no 27321-31-9 (1H-Indole,5-methyl-2-(1-methylethyl)-)
27321-31-9 structure
Product Name:1H-Indole,5-methyl-2-(1-methylethyl)-
CAS No:27321-31-9
MF:C12H15N
MW:173.254203081131
CID:251018
PubChem ID:45096590
Update Time:2025-04-19
1H-Indole,5-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole,5-methyl-2-(1-methylethyl)-
- Indole,2-isopropyl-5-methyl- (8CI)
- 2-Isopropyl-5-methyl-1H-indole
- 27321-31-9
- SCHEMBL12180274
- 5-methyl-2-(propan-2-yl)-1H-indole
- 2-isopropyl-5-methylindole
-
- Inchi： 1S/C12H15N/c1-8(2)12-7-10-6-9(3)4-5-11(10)13-12/h4-8,13H,1-3H3
- InChI Key： NGSXHQNEQTUVDH-UHFFFAOYSA-N
- SMILES： N1C2C=CC(C)=CC=2C=C1C(C)C
Computed Properties
- Exact Mass: 173.12055
- 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: 15.8A^2
- XLogP3: 3.6
Experimental Properties
- PSA: 15.79
1H-Indole,5-methyl-2-(1-methylethyl)- Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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