Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-
TL;DR: Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- (CAS 90390-39-9) is a chemical compound with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-5-nitrophenyl)methyl]ethanamine
Also Known As: Benzylamine der, Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-, N-[(3-chloro-5-nitrophenyl)methyl]ethanamine, N-[(3-chloro-5-nitro-phenyl)methyl]ethanamine
| Molecular Formula | C9H11ClN2O2 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.0509 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 90390-39-9 |
|---|---|
| SMILES | CCNCC1=CC(=CC(=C1)Cl)[N+](=O)[O-] |
| InChIKey | MARLMDUKNXOVCF-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- (CAS 90390-39-9), with molecular formula C9H11ClN2O2 and molecular weight 214.05 g/mol. IUPAC: N-[(3-chloro-5-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-
Property Insights of Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-. With a topological polar surface area (TPSA) of 57.9 Ų, Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- has 1 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 Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-?
The CAS number of Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- is 90390-39-9.
What is the molecular formula of Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-?
The molecular formula of Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- is C9H11ClN2O2.
What is the molecular weight of Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-?
The molecular weight of Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- is 214.05 g/mol.
Where can I buy Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-?
You can request a quote for Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 3-chloro-N-ethyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.