Cas no 100009-99-2 (4-Phenanthrenol,1-[2-(dimethylamino)ethyl]-3,6,7-trimethoxy-)
![4-Phenanthrenol,1-[2-(dimethylamino)ethyl]-3,6,7-trimethoxy- structure](https://ossimg.kuujia.com/scimg/100500/100009-99-2x500.png)
100009-99-2 structure
Product Name:4-Phenanthrenol,1-[2-(dimethylamino)ethyl]-3,6,7-trimethoxy-
CAS No:100009-99-2
MF:C21H25NO4
MW:355.42750620842
CID:229849
PubChem ID:180748
Update Time:2025-04-19
4-Phenanthrenol,1-[2-(dimethylamino)ethyl]-3,6,7-trimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4-Phenanthrenol,1-[2-(dimethylamino)ethyl]-3,6,7-trimethoxy-
- 1-[2-(dimethylamino)ethyl]-3,6,7-trimethoxyphenanthren-4-ol
- DTXSID70142860
- 100009-99-2
- 1-(2-Dimethylaminoethyl)-3,6,7-trimethoxyphenanthren-4-ol
-
- Inchi： 1S/C21H25NO4/c1-22(2)9-8-14-11-19(26-5)21(23)20-15(14)7-6-13-10-17(24-3)18(25-4)12-16(13)20/h6-7,10-12,23H,8-9H2,1-5H3
- InChI Key： HVZVJBZDWBORKU-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(CCN(C)C)=C2C=CC3C=C(C(=CC=3C2=C1O)OC)OC
Computed Properties
- Exact Mass: 355.17845
- Monoisotopic Mass: 355.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 446
- 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: 4.3
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- Density: 1.18
- Boiling Point: 535.4°Cat760mmHg
- Flash Point: 277.6°C
- Refractive Index: 1.624
- PSA: 51.16
- LogP: 3.82850
4-Phenanthrenol,1-[2-(dimethylamino)ethyl]-3,6,7-trimethoxy- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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