Cas no 5960-64-5 (9,10-Anthracenedione,1-[(phenylmethyl)amino]-)
![9,10-Anthracenedione,1-[(phenylmethyl)amino]- structure](https://ossimg.kuujia.com/scimg/6000/5960-64-5x500.png)
5960-64-5 structure
Product Name:9,10-Anthracenedione,1-[(phenylmethyl)amino]-
CAS No:5960-64-5
MF:C14H14BrN3O3
MW:352.183262348175
CID:386175
PubChem ID:2241800
Update Time:2025-04-19
9,10-Anthracenedione,1-[(phenylmethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione,1-[(phenylmethyl)amino]-
- 1-[(phenylmethyl)amino]-9,10-Anthracenedione
- 5960-64-5
-
- Inchi： 1S/C14H14BrN3O3/c1-17(2)11-5-4-8(7-10(11)15)6-9-12(19)16-14(21)18(3)13(9)20/h4-7H,1-3H3,(H,16,19,21)/b9-6-
- InChI Key： OQRKGSOTXOZARH-TWGQIWQCSA-N
- SMILES： BrC1C=C(C=CC=1N(C)C)/C=C1/C(NC(N(C)C/1=O)=O)=O
Computed Properties
- Exact Mass: 351.02192
- Monoisotopic Mass: 351.02185g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 504
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.72
9,10-Anthracenedione,1-[(phenylmethyl)amino]- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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