Cas no 2045-74-1 (3,3-dimethyl-2-phenyl-4,5-dihydropyrrole)
2045-74-1 structure
Product Name:3,3-dimethyl-2-phenyl-4,5-dihydropyrrole
CAS No:2045-74-1
MF:C12H15N
MW:173.254203081131
CID:1397640
PubChem ID:11008409
Update Time:2025-04-20
3,3-dimethyl-2-phenyl-4,5-dihydropyrrole Chemical and Physical Properties
Names and Identifiers
-
- 3,3-dimethyl-2-phenyl-4,5-dihydropyrrole
- LogP
- 2H-PYRROLE, 3,4-DIHYDRO-4,4-DIMETHYL-5-PHENYL-
- 4,4-dimethyl-5-phenyl-2,3-dihydropyrrole
- 2045-74-1
- DTXSID50451644
-
- Inchi： 1S/C12H15N/c1-12(2)8-9-13-11(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
- InChI Key： GXGQFPJCAQAUMT-UHFFFAOYSA-N
- SMILES： N1CCC(C)(C)C=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 173.12055
- Monoisotopic Mass: 173.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 209
- 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: 2.6
- Topological Polar Surface Area: 12.4?2
Experimental Properties
- PSA: 12.36
3,3-dimethyl-2-phenyl-4,5-dihydropyrrole Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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