Cas no 59785-53-4 (2H-Pyrrole, 5-ethyl-3,4-dihydro-2-methyl-)
59785-53-4 structure
Product Name:2H-Pyrrole, 5-ethyl-3,4-dihydro-2-methyl-
CAS No:59785-53-4
MF:C7H13N
MW:111.184821844101
CID:337300
PubChem ID:21853454
Update Time:2025-04-19
2H-Pyrrole, 5-ethyl-3,4-dihydro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrole, 5-ethyl-3,4-dihydro-2-methyl-
- 5-ethyl-2-methyl-3,4-dihydro-2H-pyrrole
- 59785-53-4
- DTXSID20618787
-
- Inchi： 1S/C7H13N/c1-3-7-5-4-6(2)8-7/h6H,3-5H2,1-2H3
- InChI Key： PMPVRECOTGDCOW-UHFFFAOYSA-N
- SMILES： N1=C(CC)CCC1C
Computed Properties
- Exact Mass: 111.10489
- Monoisotopic Mass: 111.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 105
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 12.4?2
Experimental Properties
- PSA: 12.36
2H-Pyrrole, 5-ethyl-3,4-dihydro-2-methyl- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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