N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine
TL;DR: N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine (CAS 110220-69-4) 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-(4-nitrophenyl)ethane-1,2-diamine
Also Known As: n,n-diethyl-n'-(4-nitrophenyl)ethane-1,2-diamine, N-[2-(diethylamino)ethyl]-4-nitroaniline, J3.189.094B, N,N-diethyl-N'-(4-nitrophenyl)-1,2-diaminoethane, N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine
| Molecular Formula | C12H19N3O2 |
|---|---|
| Molecular Weight | 237.15 g/mol |
| LogP | 2.5 |
| 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 | 218.0 |
Chemical Identifiers
| CAS Number | 110220-69-4 |
|---|---|
| SMILES | CCN(CC)CCNC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | NTSZVWZCBXPHKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine (CAS 110220-69-4), with molecular formula C12H19N3O2 and molecular weight 237.15 g/mol. IUPAC: N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine.
Chemical Property Profile of N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine
Property Insights of N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine. Following Lipinski's Rule of Five, N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine 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 N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine?
The CAS number of N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine is 110220-69-4.
What is the molecular formula of N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine?
The molecular formula of N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine is C12H19N3O2.
What is the molecular weight of N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine?
The molecular weight of N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine is 237.15 g/mol.
Where can I buy N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine?
You can request a quote for N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N',N'-diethyl-N-(4-nitrophenyl)ethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.