Cas no 98952-76-2 (Aziridine, 1-anthraniloyl- (6CI))
98952-76-2 structure
Product Name:Aziridine, 1-anthraniloyl- (6CI)
CAS No:98952-76-2
MF:C9H10N2O
MW:162.188501834869
CID:1002671
PubChem ID:57357172
Update Time:2025-04-20
Aziridine, 1-anthraniloyl- (6CI) Chemical and Physical Properties
Names and Identifiers
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- Aziridine, 1-anthraniloyl- (6CI)
- (2-aminophenyl)-(aziridin-1-yl)methanone
- DTXSID80723563
- 2-(AZIRIDINE-1-CARBONYL)ANILINE
- (2-Aminophenyl)(aziridin-1-yl)methanone
- 98952-76-2
-
- Inchi: 1S/C9H10N2O/c10-8-4-2-1-3-7(8)9(12)11-5-6-11/h1-4H,5-6,10H2
- InChI Key: RHBIFFHXJWCARX-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1N)N1CC1
Computed Properties
- Exact Mass: 162.079312947g/mol
- Monoisotopic Mass: 162.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 189
- 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: 0.9
- Topological Polar Surface Area: 46.1?2
Aziridine, 1-anthraniloyl- (6CI) Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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4. 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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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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