Cas no 5893-70-9 (1-Isopropylindoline)
1-Isopropylindoline structure
Product Name:1-Isopropylindoline
CAS No:5893-70-9
MF:C11H15N
MW:161.243502855301
CID:949330
PubChem ID:12151499
Update Time:2024-02-29
1-Isopropylindoline Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole,2,3-dihydro-1-(1-methylethyl)-(9CI)
- isopropylindolin
- 1-Isopropylindoline
- N-(iso-Propyl)-indoline
- KCNSXRWYZKXRLP-UHFFFAOYSA-N
- 1H-Indole, 2,3-dihydro-1-(1-methylethyl)-
-
- Inchi： 1S/C11H15N/c1-9(2)12-8-7-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3
- InChI Key： KCNSXRWYZKXRLP-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=CC=2CC1)C(C)C
Computed Properties
- Exact Mass: 161.120449483g/mol
- Monoisotopic Mass: 161.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 153
- 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: 3.2
- XLogP3: 2.9
1-Isopropylindoline Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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