3-(4-Nitrophenyl)propan-1,2-diamine
TL;DR: 3-(4-Nitrophenyl)propan-1,2-diamine (CAS 81677-62-5) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)propane-1,2-diamine
Also Known As: 3-(4-nitrophenyl)propane-1,2-diamine, 1-(p-nitrobenzyl)ethylene-diamine, 3-(4-Nitrophenyl)propan-1,2-diamine, 3-(4-Nitrophenyl)-1,2-propanediamine #, J1.998.232G
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 81677-62-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CN)N)[N+](=O)[O-] |
| InChIKey | ZXKYADWCFXHGDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Nitrophenyl)propan-1,2-diamine (CAS 81677-62-5), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: 3-(4-nitrophenyl)propane-1,2-diamine.
Chemical Property Profile of 3-(4-Nitrophenyl)propan-1,2-diamine
Property Insights of 3-(4-Nitrophenyl)propan-1,2-diamine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitrophenyl)propan-1,2-diamine. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)propan-1,2-diamine. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)propan-1,2-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 3-(4-Nitrophenyl)propan-1,2-diamine?
The CAS number of 3-(4-Nitrophenyl)propan-1,2-diamine is 81677-62-5.
What is the molecular formula of 3-(4-Nitrophenyl)propan-1,2-diamine?
The molecular formula of 3-(4-Nitrophenyl)propan-1,2-diamine is C9H13N3O2.
What is the molecular weight of 3-(4-Nitrophenyl)propan-1,2-diamine?
The molecular weight of 3-(4-Nitrophenyl)propan-1,2-diamine is 195.10 g/mol.
Where can I buy 3-(4-Nitrophenyl)propan-1,2-diamine?
You can request a quote for 3-(4-Nitrophenyl)propan-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenyl)propan-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)propan-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.