2-(3-Nitro-benzylamino)-ethanol
TL;DR: 2-(3-Nitro-benzylamino)-ethanol (CAS 40172-07-4) is a chemical compound with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitrophenyl)methylamino]ethanol
Also Known As: 2-(3-Nitro-benzylamino)-ethanol, 2-(3-nitrobenzylamino)ethanol, 2-((3-Nitrobenzyl)amino)ethanol, 2-[(3-nitrophenyl)methylamino]ethanol, 2-((3-Nitrobenzyl)amino)ethan-1-ol
| Molecular Formula | C9H12N2O3 |
|---|---|
| Molecular Weight | 196.08 g/mol |
| LogP | 0.6767 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.0848 |
| Heavy Atoms | 14 |
| Complexity | 314.6803 |
Chemical Identifiers
| CAS Number | 40172-07-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CNCCO |
Product Overview
2-(3-Nitro-benzylamino)-ethanol (CAS 40172-07-4), with molecular formula C9H12N2O3 and molecular weight 196.08 g/mol. IUPAC: 2-[(3-nitrophenyl)methylamino]ethanol.
Chemical Property Profile of 2-(3-Nitro-benzylamino)-ethanol
Property Insights of 2-(3-Nitro-benzylamino)-ethanol
The XLogP value of 0.6767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Nitro-benzylamino)-ethanol. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitro-benzylamino)-ethanol. Following Lipinski's Rule of Five, 2-(3-Nitro-benzylamino)-ethanol 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 2-(3-Nitro-benzylamino)-ethanol?
The CAS number of 2-(3-Nitro-benzylamino)-ethanol is 40172-07-4.
What is the molecular formula of 2-(3-Nitro-benzylamino)-ethanol?
The molecular formula of 2-(3-Nitro-benzylamino)-ethanol is C9H12N2O3.
What is the molecular weight of 2-(3-Nitro-benzylamino)-ethanol?
The molecular weight of 2-(3-Nitro-benzylamino)-ethanol is 196.08 g/mol.
Where can I buy 2-(3-Nitro-benzylamino)-ethanol?
You can request a quote for 2-(3-Nitro-benzylamino)-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitro-benzylamino)-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitro-benzylamino)-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.