N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine
TL;DR: N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine (CAS 356093-80-6) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4,5-dimethoxy-2-nitrophenyl)methyl]propan-2-amine
Also Known As: N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine, AB00087347-01, N-[(4,5-dimethoxy-2-nitrophenyl)methyl]propan-2-amine, [(4,5-dimethoxy-2-nitrophenyl)methyl](methylethyl)amine, N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]propan-2-amine
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 356093-80-6 |
|---|---|
| SMILES | CC(C)NCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC |
| InChIKey | GPRLNFHIZJEIDF-UHFFFAOYSA-N |
Product Overview
N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine (CAS 356093-80-6), with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol. IUPAC: N-[(4,5-dimethoxy-2-nitrophenyl)methyl]propan-2-amine.
Chemical Property Profile of N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine
Property Insights of N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine. Following Lipinski's Rule of Five, N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine has 1 hydrogen bond donor(s) and 5 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-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine?
The CAS number of N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine is 356093-80-6.
What is the molecular formula of N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine?
The molecular formula of N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine is C12H18N2O4.
What is the molecular weight of N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine?
The molecular weight of N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine is 254.13 g/mol.
Where can I buy N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine?
You can request a quote for N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4,5-dimethoxy-2-nitrobenzyl)propan-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.