Cas no 62128-36-3 (Methanone, (1,5-dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)-)
62128-36-3 structure
Product Name:Methanone, (1,5-dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)-
CAS No:62128-36-3
MF:C14H15NO
MW:213.275003671646
CID:457119
PubChem ID:12648628
Update Time:2025-04-19
Methanone, (1,5-dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (1,5-dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)-
- (1,5-dimethylpyrrol-2-yl)-(4-methylphenyl)methanone
- 62128-36-3
- DTXSID60505647
- (1,5-Dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)methanone
- SCHEMBL8404830
- WIMNBZPDJQBWEA-UHFFFAOYSA-N
- 1,2-dimethyl-5-p-toluoylpyrrole
-
- Inchi： 1S/C14H15NO/c1-10-4-7-12(8-5-10)14(16)13-9-6-11(2)15(13)3/h4-9H,1-3H3
- InChI Key： WIMNBZPDJQBWEA-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(C)=CC=1)C1=CC=C(C)N1C
Computed Properties
- Exact Mass: 213.11545
- Monoisotopic Mass: 213.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 256
- 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: 22?2
Experimental Properties
- PSA: 22
Methanone, (1,5-dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)- Related Literature
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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