N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine
TL;DR: N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine (CAS 573720-46-4) is a chemical compound with molecular formula C11H17N3O2 and molecular weight 223.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[[2-(1-nitroethyl)phenyl]methyl]ethane-1,2-diamine
Also Known As: N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine, J1.603.179H, n-[2-(1-nitroethyl)benzyl]ethane-1,2-diamine, 1,2-Ethanediamine, N1-((2-(1-nitroethyl)phenyl)methyl)-, N-[2-(1-Nitroethyl)benzyl]-1,2-ethanediamine
| Molecular Formula | C11H17N3O2 |
|---|---|
| Molecular Weight | 223.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.13208 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 573720-46-4 |
|---|---|
| SMILES | CC(C1=CC=CC=C1CNCCN)[N+](=O)[O-] |
| InChIKey | COLDCYHZWGSLEJ-UHFFFAOYSA-N |
Product Overview
N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine (CAS 573720-46-4), with molecular formula C11H17N3O2 and molecular weight 223.13 g/mol. IUPAC: N'-[[2-(1-nitroethyl)phenyl]methyl]ethane-1,2-diamine.
Chemical Property Profile of N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine
Property Insights of N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine. Following Lipinski's Rule of Five, N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine has 2 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-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine?
The CAS number of N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine is 573720-46-4.
What is the molecular formula of N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine?
The molecular formula of N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine is C11H17N3O2.
What is the molecular weight of N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine?
The molecular weight of N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine is 223.13 g/mol.
Where can I buy N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine?
You can request a quote for N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine?
Yes, KEHONG BIO provides custom synthesis services for N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.