Cas no 19137-65-6 (2-(1H-indol-3-yl)-5-methylpyrrolidinium chloride)
19137-65-6 structure
Product Name:2-(1H-indol-3-yl)-5-methylpyrrolidinium chloride
CAS No:19137-65-6
MF:C13H17ClN2
MW:236.740482091904
CID:1384982
PubChem ID:29450
Update Time:2025-04-20
2-(1H-indol-3-yl)-5-methylpyrrolidinium chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-(1H-indol-3-yl)-5-methylpyrrolidinium chloride
- 1H-indole, 3-(5-methyl-2-pyrrolidinyl)-, hydrochloride (1:1)
- 3-(5-Methylpyrrolidin-2-yl)-1H-indole hydrochloride (1:1)
- INDOLE, 3-(5-METHYL-2-PYRROLIDINYL)-, MONOHYDROCHLORIDE
- 3-(5-Methyl-2-pyrrolidinyl)indole hydrochloride
- 19137-65-6
-
- Inchi： 1S/C13H16N2.ClH/c1-9-6-7-13(15-9)11-8-14-12-5-3-2-4-10(11)12;/h2-5,8-9,13-15H,6-7H2,1H3;1H
- InChI Key： NWTFHWBGRKKUPK-UHFFFAOYSA-N
- SMILES： [Cl-].[NH2+]1C(C)CCC1C1=CNC2C=CC=CC1=2
Computed Properties
- Exact Mass: 218.9751
- Monoisotopic Mass: 236.108026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 229
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.4
Experimental Properties
- Boiling Point: 373.9°C at 760 mmHg
- Flash Point: 179.9°C
- PSA: 26.99
2-(1H-indol-3-yl)-5-methylpyrrolidinium chloride Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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