N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine
TL;DR: N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine (CAS 756127-75-0) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)methyl]-1-(oxolan-2-yl)methanamine
Also Known As: N-[(3-nitrophenyl)methyl]-1-(oxolan-2-yl)methanamine, N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.8634 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 389.09207 |
Chemical Identifiers
| CAS Number | 756127-75-0 |
|---|---|
| SMILES | C1CC(OC1)CNCC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine (CAS 756127-75-0), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: N-[(3-nitrophenyl)methyl]-1-(oxolan-2-yl)methanamine.
Chemical Property Profile of N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine
Property Insights of N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine
The XLogP value of 1.8634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine. Following Lipinski's Rule of Five, N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine 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-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine?
The CAS number of N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine is 756127-75-0.
What is the molecular formula of N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine?
The molecular formula of N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine is C12H16N2O3.
What is the molecular weight of N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine?
The molecular weight of N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine is 236.12 g/mol.
Where can I buy N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine?
You can request a quote for N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Nitrobenzyl)-1-(tetrahydrofuran-2-yl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.