Cas no 214124-83-1 (1-(4-nitrophenyl)-1,4-diazepane)

1-(4-Nitrophenyl)-1,4-diazepane is a diazepane derivative featuring a nitrophenyl substituent, which enhances its utility as an intermediate in organic synthesis and pharmaceutical research. The presence of the nitro group provides reactivity for further functionalization, making it valuable in the development of bioactive compounds. Its diazepane core contributes to conformational flexibility, potentially improving binding affinity in medicinal chemistry applications. This compound is particularly useful in the synthesis of heterocyclic frameworks and as a precursor for catalysts or ligands. High purity and well-defined structural properties ensure consistent performance in research and industrial processes. Suitable for controlled reactions under standard laboratory conditions.

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

214124-83-1 structure

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

CAS No:214124-83-1

MF:C₁₁H₁₅N₃O₂

MW:221.255702257156

MDL:MFCD00448001

CID:242807

PubChem ID:5055950

Update Time:2025-05-28

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

Names and Identifiers

- 1H-1,4-Diazepine,hexahydro-1-(4-nitrophenyl)-
- 1-(4-Nitrophenyl)-1,4-diazepane
- 1-(4-nitrophenyl)[1,4]diazepane
- 1-(4-nitro-phenyl)-[1,4]diazepane
- 1-(4-NITROPHENYL)-[1,4]DIAZEPANE
- AC1NMRO1
- AG-E-56849
- CTK4E6691
- F2158-1106
- hexahydro-4-(4-nitrophenyl)-1H-1,4-diazepine
- SureCN942183
- 1-(4-nitrophenyl)-1, 4-diazepane
- MFCD00448001
- SCHEMBL942183
- AKOS000161331
- hexahydro-1-(4-nitrophenyl)-1H-1,4-diazepine
- LIQIZDGKPDHEPC-UHFFFAOYSA-N
- EN300-235842
- DTXSID80407851
- 214124-83-1
- AG-205/07859053
- 1-(4-nitrophenyl)-1,4-diazepane
- MDL： MFCD00448001
- Inchi： 1S/C11H15N3O2/c15-14(16)11-4-2-10(3-5-11)13-8-1-6-12-7-9-13/h2-5,12H,1,6-9H2
- InChI Key： LIQIZDGKPDHEPC-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)N1CCNCCC1)=O

Computed Properties

Exact Mass: 221.11600
Monoisotopic Mass: 221.116426730g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 16
Rotatable Bond Count: 2
Complexity: 234
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: 1.6
Topological Polar Surface Area: 61.1?2

Experimental Properties

Density: 1.181
Boiling Point: 403.5°Cat760mmHg
Flash Point: 197.8°C
Refractive Index: 1.564
PSA: 61.09000
LogP: 2.31150

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

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Alichem	A019131507-5g	1-(4-Nitrophenyl)-1,4-diazepane	214124-83-1	95%	5g	$236.18	2023-09-02
Alichem	A019131507-25g	1-(4-Nitrophenyl)-1,4-diazepane	214124-83-1	95%	25g	$731.24	2023-09-02
Chemenu	CM286057-5g	1-(4-Nitrophenyl)-1,4-diazepane	214124-83-1	95+%	5g	$320	2021-06-09
Chemenu	CM286057-10g	1-(4-Nitrophenyl)-1,4-diazepane	214124-83-1	95+%	10g	$533	2021-06-09
Chemenu	CM286057-25g	1-(4-Nitrophenyl)-1,4-diazepane	214124-83-1	95+%	25g	$959	2021-06-09
TRC	N131411-100mg	1-(4-Nitrophenyl)-1,4-diazepane	214124-83-1		100mg	$ 50.00	2022-06-03
TRC	N131411-500mg	1-(4-Nitrophenyl)-1,4-diazepane	214124-83-1		500mg	$ 135.00	2022-06-03
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