N-4-nitrobenzyl-N-n-propylamine
TL;DR: N-4-nitrobenzyl-N-n-propylamine (CAS 62869-74-3) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-nitrophenyl)methyl]propan-1-amine
Also Known As: N-4-Nitrobenzyl-N-n-propylamine, (4-Nitrobenzyl)propylamine, N-[(4-nitrophenyl)methyl]propan-1-amine, N-(4-nitrobenzyl)propan-1-amine, [(4-NITROPHENYL)METHYL](PROPYL)AMINE
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 62869-74-3 |
|---|---|
| SMILES | CCCNCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DYKOXJZUSIQXJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-4-nitrobenzyl-N-n-propylamine (CAS 62869-74-3), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: N-[(4-nitrophenyl)methyl]propan-1-amine.
Chemical Property Profile of N-4-nitrobenzyl-N-n-propylamine
Property Insights of N-4-nitrobenzyl-N-n-propylamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-4-nitrobenzyl-N-n-propylamine. With a topological polar surface area (TPSA) of 57.9 Ų, N-4-nitrobenzyl-N-n-propylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-4-nitrobenzyl-N-n-propylamine has 1 hydrogen bond donor(s) and 3 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-nitrobenzyl-N-n-propylamine?
The CAS number of N-4-nitrobenzyl-N-n-propylamine is 62869-74-3.
What is the molecular formula of N-4-nitrobenzyl-N-n-propylamine?
The molecular formula of N-4-nitrobenzyl-N-n-propylamine is C10H14N2O2.
What is the molecular weight of N-4-nitrobenzyl-N-n-propylamine?
The molecular weight of N-4-nitrobenzyl-N-n-propylamine is 194.11 g/mol.
Where can I buy N-4-nitrobenzyl-N-n-propylamine?
You can request a quote for N-4-nitrobenzyl-N-n-propylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-4-nitrobenzyl-N-n-propylamine?
Yes, KEHONG BIO provides custom synthesis services for N-4-nitrobenzyl-N-n-propylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.