Cas no 870966-65-7 (Pyrrolidine, 1-(4,5,7-trinitro-1-naphthalenyl)-)
870966-65-7 structure
Product Name:Pyrrolidine, 1-(4,5,7-trinitro-1-naphthalenyl)-
CAS No:870966-65-7
MF:C14H12N4O6
MW:332.26828289032
CID:659374
PubChem ID:71413462
Update Time:2025-04-19
Pyrrolidine, 1-(4,5,7-trinitro-1-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrrolidine, 1-(4,5,7-trinitro-1-naphthalenyl)-
- 1-(4,5,7-trinitronaphthalen-1-yl)pyrrolidine
- DTXSID20832986
- SCHEMBL4876279
- 870966-65-7
-
- Inchi： 1S/C14H12N4O6/c19-16(20)9-7-10-11(15-5-1-2-6-15)3-4-12(17(21)22)14(10)13(8-9)18(23)24/h3-4,7-8H,1-2,5-6H2
- InChI Key： IHNCBRWZYYBRHH-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=C(C2C=C(C=C(C=21)[N+](=O)[O-])[N+](=O)[O-])N1CCCC1)=O
Computed Properties
- Exact Mass: 332.07568412g/mol
- Monoisotopic Mass: 332.07568412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 521
- 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: 3.3
- Topological Polar Surface Area: 141?2
Pyrrolidine, 1-(4,5,7-trinitro-1-naphthalenyl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
870966-65-7 (Pyrrolidine, 1-(4,5,7-trinitro-1-naphthalenyl)-) Related Products
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