Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-
TL;DR: Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- (CAS 61733-96-8) is a chemical compound with molecular formula C13H20ClN3O3 and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(E)-(4-nitrophenyl)methylideneamino]oxyethyl]azanium chloride
Also Known As: BENZALDEHYDE, p-NITRO-, O-(DIETHYLAMINOETHYL)OXIME, HYDROCHLORIDE, (E)-, O-(N,N-Diethylamino-2 ethyl) nitro-4 benzaldoxime chlorhydrate (E) [French], O-(N,N-Diethylamino-2 ethyl) nitro-4 benzaldoxime chlorhydrate (E), Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-, RefChem:1077862
| Molecular Formula | C13H20ClN3O3 |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | -2.126 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.11932 |
| Heavy Atoms | 20 |
| Complexity | 419.37448 |
Chemical Identifiers
| CAS Number | 61733-96-8 |
|---|---|
| SMILES | CC[NH+](CC)CCO/N=C/C1=CC=C(C=C1)[N+](=O)[O-].[Cl-] |
Product Overview
Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- (CAS 61733-96-8), with molecular formula C13H20ClN3O3 and molecular weight 301.12 g/mol. IUPAC: diethyl-[2-[(E)-(4-nitrophenyl)methylideneamino]oxyethyl]azanium chloride.
Chemical Property Profile of Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-
Property Insights of Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-
The XLogP value of -2.126 indicates that Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-. Following Lipinski's Rule of Five, Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-?
The CAS number of Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- is 61733-96-8.
What is the molecular formula of Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-?
The molecular formula of Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- is C13H20ClN3O3.
What is the molecular weight of Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-?
The molecular weight of Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- is 301.12 g/mol.
Where can I buy Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-?
You can request a quote for Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, 4-nitro-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.