N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine
TL;DR: N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine (CAS 415936-89-9) is a chemical compound with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine
Also Known As: N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine, BIM-0020087.P001
| Molecular Formula | C13H20N2O3 |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | 2.7055 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 252.1474 |
| Heavy Atoms | 18 |
| Complexity | 378.25403 |
Chemical Identifiers
| CAS Number | 415936-89-9 |
|---|---|
| SMILES | CCN(CC)CCCOC1=CC=CC=C1[N+](=O)[O-] |
Product Overview
N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine (CAS 415936-89-9), with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol. IUPAC: N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine.
Chemical Property Profile of N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine
Property Insights of N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine
The XLogP value of 2.7055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine. With a topological polar surface area (TPSA) of 55.61 Ų, N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine has 0 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,N-diethyl-3-(2-nitrophenoxy)propan-1-amine?
The CAS number of N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine is 415936-89-9.
What is the molecular formula of N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine?
The molecular formula of N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine is C13H20N2O3.
What is the molecular weight of N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine?
The molecular weight of N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine is 252.15 g/mol.
Where can I buy N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine?
You can request a quote for N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.