N1-(4-nitrobenzyl)propane-1,3-diamine
TL;DR: N1-(4-nitrobenzyl)propane-1,3-diamine (CAS 161799-74-2) is a chemical compound with molecular formula C10H15N3O2 and molecular weight 209.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[(4-nitrophenyl)methyl]propane-1,3-diamine
Also Known As: 4-(bromomethyl)umbelliferone, N1-(4-nitrobenzyl)propane-1,3-diamine, N'-[(4-nitrophenyl)methyl]propane-1,3-diamine, N-[(4-nitrophenyl)methyl]propane-1,3-diamine, 1,3-Propanediamine, N-[(4-nitrophenyl)methyl]-
| Molecular Formula | C10H15N3O2 |
|---|---|
| Molecular Weight | 209.12 g/mol |
| LogP | 1.0332 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 209.11642 |
| Heavy Atoms | 15 |
| Complexity | 310.94846 |
Chemical Identifiers
| CAS Number | 161799-74-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CNCCCN)[N+](=O)[O-] |
Product Overview
N1-(4-nitrobenzyl)propane-1,3-diamine (CAS 161799-74-2), with molecular formula C10H15N3O2 and molecular weight 209.12 g/mol. IUPAC: N'-[(4-nitrophenyl)methyl]propane-1,3-diamine.
Chemical Property Profile of N1-(4-nitrobenzyl)propane-1,3-diamine
Property Insights of N1-(4-nitrobenzyl)propane-1,3-diamine
The XLogP value of 1.0332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1-(4-nitrobenzyl)propane-1,3-diamine. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(4-nitrobenzyl)propane-1,3-diamine. Following Lipinski's Rule of Five, N1-(4-nitrobenzyl)propane-1,3-diamine 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 N1-(4-nitrobenzyl)propane-1,3-diamine?
The CAS number of N1-(4-nitrobenzyl)propane-1,3-diamine is 161799-74-2.
What is the molecular formula of N1-(4-nitrobenzyl)propane-1,3-diamine?
The molecular formula of N1-(4-nitrobenzyl)propane-1,3-diamine is C10H15N3O2.
What is the molecular weight of N1-(4-nitrobenzyl)propane-1,3-diamine?
The molecular weight of N1-(4-nitrobenzyl)propane-1,3-diamine is 209.12 g/mol.
Where can I buy N1-(4-nitrobenzyl)propane-1,3-diamine?
You can request a quote for N1-(4-nitrobenzyl)propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(4-nitrobenzyl)propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1-(4-nitrobenzyl)propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.