Cas no 74869-51-5 (4-(propan-2-yl)pyrene)
4-(propan-2-yl)pyrene structure
Product Name:4-(propan-2-yl)pyrene
CAS No:74869-51-5
MF:C19H16
MW:244.330345153809
CID:1770567
PubChem ID:156531
Update Time:2025-04-21
4-(propan-2-yl)pyrene Chemical and Physical Properties
Names and Identifiers
-
- 4-(propan-2-yl)pyrene
- 4-Isopropylpyrene
- pyrene, 4-(1-methylethyl)-
- InChI=1/C19H16/c1-12(2)17-11-15-7-3-5-13-9-10-14-6-4-8-16(17)19(14)18(13)15/h3-12H,1-2H
- 74869-51-5
- DTXSID80225855
-
- Inchi： 1S/C19H16/c1-12(2)17-11-15-7-3-5-13-9-10-14-6-4-8-16(17)19(14)18(13)15/h3-12H,1-2H3
- InChI Key： NIXSYWIQFZOHDU-UHFFFAOYSA-N
- SMILES： C12C3=CC=CC1=C(C=C1C=CC=C(C=C3)C=21)C(C)C
Computed Properties
- Exact Mass: 244.12528
- Monoisotopic Mass: 244.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 331
- 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: 6.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
4-(propan-2-yl)pyrene Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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