N-(2-chloro-4-nitrophenyl)propane-1,3-diamine
TL;DR: N-(2-chloro-4-nitrophenyl)propane-1,3-diamine (CAS 300668-01-3) is a chemical compound with molecular formula C9H12ClN3O2 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-chloro-4-nitrophenyl)propane-1,3-diamine
Also Known As: N-(2-chloro-4-nitrophenyl)propane-1,3-diamine, N1-(2-Chloro-4-nitrophenyl)propane-1,3-diamine, N'-(2-chloro-4-nitrophenyl)propane-1,3-diamine, (3-aminopropyl)(2-chloro-4-nitrophenyl)amine, 1,3-Propanediamine, N-(2-chloro-4-nitrophenyl)-
| Molecular Formula | C9H12ClN3O2 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 2.0089 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.0618 |
| Heavy Atoms | 15 |
| Complexity | 357.21072 |
Chemical Identifiers
| CAS Number | 300668-01-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCCN |
Product Overview
N-(2-chloro-4-nitrophenyl)propane-1,3-diamine (CAS 300668-01-3), with molecular formula C9H12ClN3O2 and molecular weight 229.06 g/mol. IUPAC: N'-(2-chloro-4-nitrophenyl)propane-1,3-diamine.
Chemical Property Profile of N-(2-chloro-4-nitrophenyl)propane-1,3-diamine
Property Insights of N-(2-chloro-4-nitrophenyl)propane-1,3-diamine
The XLogP value of 2.0089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloro-4-nitrophenyl)propane-1,3-diamine. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-4-nitrophenyl)propane-1,3-diamine. Following Lipinski's Rule of Five, N-(2-chloro-4-nitrophenyl)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 N-(2-chloro-4-nitrophenyl)propane-1,3-diamine?
The CAS number of N-(2-chloro-4-nitrophenyl)propane-1,3-diamine is 300668-01-3.
What is the molecular formula of N-(2-chloro-4-nitrophenyl)propane-1,3-diamine?
The molecular formula of N-(2-chloro-4-nitrophenyl)propane-1,3-diamine is C9H12ClN3O2.
What is the molecular weight of N-(2-chloro-4-nitrophenyl)propane-1,3-diamine?
The molecular weight of N-(2-chloro-4-nitrophenyl)propane-1,3-diamine is 229.06 g/mol.
Where can I buy N-(2-chloro-4-nitrophenyl)propane-1,3-diamine?
You can request a quote for N-(2-chloro-4-nitrophenyl)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 N-(2-chloro-4-nitrophenyl)propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-4-nitrophenyl)propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.