Cas no 360045-07-4 (1H-Indol-5-amine, 1-(3,5-dimethylphenyl)-)
360045-07-4 structure
Product Name:1H-Indol-5-amine, 1-(3,5-dimethylphenyl)-
CAS No:360045-07-4
MF:C16H16N2
MW:236.311643600464
CID:1474244
PubChem ID:11230110
Update Time:2025-04-20
1H-Indol-5-amine, 1-(3,5-dimethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indol-5-amine, 1-(3,5-dimethylphenyl)-
- 1-(3,5-dimethylphenyl)indol-5-amine
- 360045-07-4
- 5-amino-1-(3,5-dimethylphenyl)indole
- SCHEMBL4629027
- HS-5189
- DTXSID40459472
- VMJINDHDVAPUTI-UHFFFAOYSA-N
- 1-(3,5-dimethylphenyl)-5-aminoindole
- 1-(3,5-Dimethylphenyl)-1H-indol-5-amine
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- Inchi: 1S/C16H16N2/c1-11-7-12(2)9-15(8-11)18-6-5-13-10-14(17)3-4-16(13)18/h3-10H,17H2,1-2H3
- InChI Key: VMJINDHDVAPUTI-UHFFFAOYSA-N
- SMILES: N1(C=CC2C=C(C=CC1=2)N)C1C=C(C)C=C(C)C=1
Computed Properties
- Exact Mass: 236.13148
- Monoisotopic Mass: 236.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 281
- 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
- XLogP3: 3.7
- Topological Polar Surface Area: 31?2
Experimental Properties
- PSA: 30.95
1H-Indol-5-amine, 1-(3,5-dimethylphenyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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