Aniline, N-(2-(diethylamino)ethyl)-2-nitro-
TL;DR: Aniline, N-(2-(diethylamino)ethyl)-2-nitro- (CAS 40516-95-8) is a chemical compound with molecular formula C12H19N3O2 and molecular weight 237.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-(2-nitrophenyl)ethane-1,2-diamine
Also Known As: N-(2-Diethylaminoethyl)-2-nitroaniline, ANILINE, N-(2-(DIETHYLAMINO)ETHYL)-2-NITRO-, 4-12-00-01586 (Beilstein Handbook Reference), N-[2-(diethylamino)ethyl]-2-nitroaniline, N',N'-diethyl-N-(2-nitrophenyl)ethane-1,2-diamine
| Molecular Formula | C12H19N3O2 |
|---|---|
| Molecular Weight | 237.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.14772 |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 40516-95-8 |
|---|---|
| SMILES | CCN(CC)CCNC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | PTAKFIZKSZZSBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, N-(2-(diethylamino)ethyl)-2-nitro- (CAS 40516-95-8), with molecular formula C12H19N3O2 and molecular weight 237.15 g/mol. IUPAC: N',N'-diethyl-N-(2-nitrophenyl)ethane-1,2-diamine.
Chemical Property Profile of Aniline, N-(2-(diethylamino)ethyl)-2-nitro-
Property Insights of Aniline, N-(2-(diethylamino)ethyl)-2-nitro-
The XLogP value of 3.0 indicates that Aniline, N-(2-(diethylamino)ethyl)-2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniline, N-(2-(diethylamino)ethyl)-2-nitro-. Following Lipinski's Rule of Five, Aniline, N-(2-(diethylamino)ethyl)-2-nitro- 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 Aniline, N-(2-(diethylamino)ethyl)-2-nitro-?
The CAS number of Aniline, N-(2-(diethylamino)ethyl)-2-nitro- is 40516-95-8.
What is the molecular formula of Aniline, N-(2-(diethylamino)ethyl)-2-nitro-?
The molecular formula of Aniline, N-(2-(diethylamino)ethyl)-2-nitro- is C12H19N3O2.
What is the molecular weight of Aniline, N-(2-(diethylamino)ethyl)-2-nitro-?
The molecular weight of Aniline, N-(2-(diethylamino)ethyl)-2-nitro- is 237.15 g/mol.
Where can I buy Aniline, N-(2-(diethylamino)ethyl)-2-nitro-?
You can request a quote for Aniline, N-(2-(diethylamino)ethyl)-2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, N-(2-(diethylamino)ethyl)-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N-(2-(diethylamino)ethyl)-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.