Cas no 223786-22-9 (1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-nitrophenyl)-)
223786-22-9 structure
Product Name:1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-nitrophenyl)-
CAS No:223786-22-9
MF:C12H17N3O2
MW:235.282282590866
CID:1412987
PubChem ID:3124722
Update Time:2025-04-20
1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-nitrophenyl)-
- 1-methyl-4-(4-nitrophenyl)-1,4-diazepane
- MLS000712731
- DTXSID90389538
- XNADLAKKHYPORF-UHFFFAOYSA-N
- EU-0052283
- DA-43184
- SR-01000526666-1
- CHEMBL1399044
- STK675936
- SR-01000526666
- 1-(4-nitrophenyl)-4-methylhomopiperazine
- 223786-22-9
- SCHEMBL3569406
- WAY-194754
- Oprea1_729045
- AKOS000600277
- 1-methyl-4-(4-nitrophenyl)-[1,4]diazepane
- SMR000282498
- HMS2672E15
-
- Inchi： 1S/C12H17N3O2/c1-13-7-2-8-14(10-9-13)11-3-5-12(6-4-11)15(16)17/h3-6H,2,7-10H2,1H3
- InChI Key： XNADLAKKHYPORF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)N1CCN(C)CCC1)=O
Computed Properties
- Exact Mass: 235.13221
- Monoisotopic Mass: 235.132076794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 259
- 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: 2
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 49.62
1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-nitrophenyl)- Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
223786-22-9 (1H-1,4-Diazepine, hexahydro-1-methyl-4-(4-nitrophenyl)-) Related Products
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