Cas no 197722-88-6 (1-Pyreneethanamine)
1-Pyreneethanamine structure
Product Name:1-Pyreneethanamine
CAS No:197722-88-6
MF:C18H15N
MW:245.318404436111
CID:1389833
PubChem ID:15277667
Update Time:2025-04-20
1-Pyreneethanamine Chemical and Physical Properties
Names and Identifiers
-
- 1-Pyreneethanamine
- 2-pyren-1-ylethanamine
- 1-Pyrene-Ethanamine
- 197722-88-6
- DTXSID50570905
- SCHEMBL3718110
- 2-(Pyren-1-yl)ethan-1-amine
- CHEMBL2147526
-
- Inchi： 1S/C18H15N/c19-11-10-12-4-5-15-7-6-13-2-1-3-14-8-9-16(12)18(15)17(13)14/h1-9H,10-11,19H2
- InChI Key： WUMDHWAMJFRWNL-UHFFFAOYSA-N
- SMILES： NCCC1C=CC2=CC=C3C=CC=C4C=CC=1C2=C43
Computed Properties
- Exact Mass: 245.12055
- Monoisotopic Mass: 245.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 326
- 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: 4.4
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
1-Pyreneethanamine Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
197722-88-6 (1-Pyreneethanamine) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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