Cas no 847972-22-9 (5-amino-2-(1-piperazinyl)-Benzonitrile)
847972-22-9 structure
Product Name:5-amino-2-(1-piperazinyl)-Benzonitrile
CAS No:847972-22-9
MF:C11H14N4
MW:202.255661487579
CID:1038269
PubChem ID:62138947
Update Time:2025-04-20
5-amino-2-(1-piperazinyl)-Benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-amino-2-(1-piperazinyl)-Benzonitrile
- 5-Amino-2-(piperazin-1-yl)benzonitrile
- 5-amino-2-piperazin-1-ylbenzonitrile
- 847972-22-9
- AKOS011419248
- SCHEMBL3636287
- DTXSID10734344
- 5-amino-2-piperazin-1-yl-benzonitrile
- A863978
- QUCGIBACMCXRNB-UHFFFAOYSA-N
- GS1538
-
- MDL: MFCD16687606
- Inchi: 1S/C11H14N4/c12-8-9-7-10(13)1-2-11(9)15-5-3-14-4-6-15/h1-2,7,14H,3-6,13H2
- InChI Key: QUCGIBACMCXRNB-UHFFFAOYSA-N
- SMILES: N1(C2C=CC(=CC=2C#N)N)CCNCC1
Computed Properties
- Exact Mass: 202.121846464g/mol
- Monoisotopic Mass: 202.121846464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 0.4
- Topological Polar Surface Area: 65.1?2
5-amino-2-(1-piperazinyl)-Benzonitrile Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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