Cas no 5522-42-9 (1-Pyrenamine, N,N-dimethyl)
1-Pyrenamine, N,N-dimethyl structure
Product Name:1-Pyrenamine, N,N-dimethyl
1-Pyrenamine, N,N-dimethyl Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyrenamine, N,N-dimethyl
- SCHEMBL1011321
- CHEMBL1873584
- NCGC00188265-01
- DTXSID80970550
- N-dimethylaminopyrene
- N,N-dimethylpyren-1-amine
- 5522-42-9
-
- Inchi： 1S/C18H15N/c1-19(2)16-11-9-14-7-6-12-4-3-5-13-8-10-15(16)18(14)17(12)13/h3-11H,1-2H3
- InChI Key： LWJUQIOWBKYOMO-UHFFFAOYSA-N
- SMILES： N(C)(C)C1C=CC2=CC=C3C=CC=C4C=CC=1C2=C43
Computed Properties
- Exact Mass: 429.99632
- Monoisotopic Mass: 245.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 337
- 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: 5.1
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 41.46
1-Pyrenamine, N,N-dimethyl 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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
5522-42-9 (1-Pyrenamine, N,N-dimethyl) Related Products
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