Cas no 30642-36-5 (1H-Indole, trimethyl-)
1H-Indole, trimethyl- structure
Product Name:1H-Indole, trimethyl-
CAS No:30642-36-5
MF:C22H26N2
MW:318.455245494843
CID:308775
PubChem ID:35401
Update Time:2025-04-19
1H-Indole, trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, trimethyl-
- 3,4,7-trimethyl-1H-indole,4,6,7-trimethyl-1H-indole
- DTXSID60184693
- TRIMETHYL-1H-INDOLE
- 30642-36-5
-
- Inchi： 1S/2C11H13N/c1-7-6-8(2)10-4-5-12-11(10)9(7)3;1-7-4-5-8(2)11-10(7)9(3)6-12-11/h2*4-6,12H,1-3H3
- InChI Key： ZLBQDFFUJTUPQR-UHFFFAOYSA-N
- SMILES： N1C=C(C)C2C(C)=CC=C(C)C1=2.N1C=CC2C(C)=CC(C)=C(C)C1=2
Computed Properties
- Exact Mass: 318.20978
- Monoisotopic Mass: 318.209599
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 333
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 31.6
Experimental Properties
- Boiling Point: 289.7°Cat760mmHg
- Flash Point: 122.1°C
- PSA: 31.58
1H-Indole, trimethyl- Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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