Benzenamine, 2-chloro-N,N-diethyl-4-nitro-
TL;DR: Benzenamine, 2-chloro-N,N-diethyl-4-nitro- (CAS 86-49-7) is a chemical compound with molecular formula C10H13ClN2O2 and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N,N-diethyl-4-nitroaniline
Also Known As: 2-Chloro-N,N-diethyl-4-nitroaniline, Benzenamine, 2-chloro-N,N-diethyl-4-nitro-, 2-Chloro-N,N-diethyl-4-nitrobenzenamine, 2-chlor-N,N-diethyl-4-nitroanilin, (2-chloro-4-nitrophenyl)diethylamine
| Molecular Formula | C10H13ClN2O2 |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.06656 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 86-49-7 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | PCVJAZCSKCCKPQ-UHFFFAOYSA-N |
Product Overview
Benzenamine, 2-chloro-N,N-diethyl-4-nitro- (CAS 86-49-7), with molecular formula C10H13ClN2O2 and molecular weight 228.07 g/mol. IUPAC: 2-chloro-N,N-diethyl-4-nitroaniline.
Chemical Property Profile of Benzenamine, 2-chloro-N,N-diethyl-4-nitro-
Property Insights of Benzenamine, 2-chloro-N,N-diethyl-4-nitro-
The XLogP value of 3.2 indicates that Benzenamine, 2-chloro-N,N-diethyl-4-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, Benzenamine, 2-chloro-N,N-diethyl-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 2-chloro-N,N-diethyl-4-nitro- has 0 hydrogen bond donor(s) and 3 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 Benzenamine, 2-chloro-N,N-diethyl-4-nitro-?
The CAS number of Benzenamine, 2-chloro-N,N-diethyl-4-nitro- is 86-49-7.
What is the molecular formula of Benzenamine, 2-chloro-N,N-diethyl-4-nitro-?
The molecular formula of Benzenamine, 2-chloro-N,N-diethyl-4-nitro- is C10H13ClN2O2.
What is the molecular weight of Benzenamine, 2-chloro-N,N-diethyl-4-nitro-?
The molecular weight of Benzenamine, 2-chloro-N,N-diethyl-4-nitro- is 228.07 g/mol.
Where can I buy Benzenamine, 2-chloro-N,N-diethyl-4-nitro-?
You can request a quote for Benzenamine, 2-chloro-N,N-diethyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-chloro-N,N-diethyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-chloro-N,N-diethyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.