Cas no 892491-96-2 (1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane)

1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane is a diazepane derivative characterized by the presence of an acetyl group at the 1-position and a 4-nitrophenyl substituent at the 4-position. This compound is of interest in medicinal chemistry and pharmaceutical research due to its structural features, which may serve as a scaffold for the development of bioactive molecules. The nitro group enhances electrophilic reactivity, making it a potential intermediate for further functionalization. Its diazepane core offers conformational flexibility, which can be advantageous in drug design. The compound is typically utilized in synthetic organic chemistry for the exploration of novel heterocyclic frameworks or as a precursor in targeted synthesis.

1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane structure

892491-96-2 structure

Product Name:1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane

CAS No:892491-96-2

MF:C₁₃H₁₇N₃O₃

MW:263.292382955551

MDL:MFCD12964044

CID:1071187

PubChem ID:59464251

Update Time:2025-10-06

1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane Chemical and Physical Properties

Names and Identifiers

- 1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane
- AKOS027307772
- 1-Acetyl-4-(4-nitrophenyl)homopiperazine
- 1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethan-1-one
- 1-(4-(4-Nitrophenyl)-1,4-diazepan-1-yl)ethanone
- 1-(4-(4-Nitrophenyl)-1,4-diazepan-1-yl)ethan-1-one
- RXNBFXGPYBPOCL-UHFFFAOYSA-N
- MFCD12964044
- CS-0330511
- 892491-96-2
- AS-8402
- SCHEMBL3540760
- 1-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]ethanone
- MDL： MFCD12964044
- Inchi： 1S/C13H17N3O3/c1-11(17)14-7-2-8-15(10-9-14)12-3-5-13(6-4-12)16(18)19/h3-6H,2,7-10H2,1H3
- InChI Key： RXNBFXGPYBPOCL-UHFFFAOYSA-N
- SMILES： O=C(C)N1CCN(C2C=CC(=CC=2)[N+](=O)[O-])CCC1

Computed Properties

Exact Mass: 263.12699141g/mol
Monoisotopic Mass: 263.12699141g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 19
Rotatable Bond Count: 3
Complexity: 335
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: 1.5
Topological Polar Surface Area: 69.4?2

1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Chemenu	CM285141-5g	1-(4-(4-Nitrophenyl)-1,4-diazepan-1-yl)ethanone	892491-96-2	95%	5g	$626	2021-06-09
Apollo Scientific	OR110262-250mg	1-Acetyl-4-(4-nitrophenyl)homopiperazine	892491-96-2		250mg	￡55.00	2025-02-19
Apollo Scientific	OR110262-1g	1-Acetyl-4-(4-nitrophenyl)homopiperazine	892491-96-2		1g	￡160.00	2025-02-19
Chemenu	CM285141-5g	1-(4-(4-Nitrophenyl)-1,4-diazepan-1-yl)ethanone	892491-96-2	95%	5g	$626	2022-06-09
abcr	AB418534-1 g	1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane	892491-96-2		1 g	€221.00	2023-07-19
Key Organics Ltd	AS-8402-1MG	1-acetyl-4-(4-nitrophenyl)-1,4-diazepane	892491-96-2	>90%	1mg	￡28.00	2025-02-09
Key Organics Ltd	AS-8402-5MG	1-acetyl-4-(4-nitrophenyl)-1,4-diazepane	892491-96-2	>90%	5mg	￡35.00	2025-02-09
Key Organics Ltd	AS-8402-10MG	1-acetyl-4-(4-nitrophenyl)-1,4-diazepane	892491-96-2	>90%	10mg	￡48.00	2025-02-09
Key Organics Ltd	AS-8402-20MG	1-acetyl-4-(4-nitrophenyl)-1,4-diazepane	892491-96-2	>90%	0mg	￡76.00	2023-04-19
Key Organics Ltd	AS-8402-50MG	1-acetyl-4-(4-nitrophenyl)-1,4-diazepane	892491-96-2	>90%	50mg	￡77.00	2025-02-09