M-phenylenediamine dihydrochloride
TL;DR: M-phenylenediamine dihydrochloride (CAS 541-69-5) is a chemical compound with molecular formula C6H10Cl2N2 and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-diamine;dihydrochloride
Also Known As: M-phenylenediamine dihydrochloride, benzene-1,3-diamine dihydrochloride, m-Phenylenediamine, 1,3-Phenylenediamine dihydrochloride, m-Phenylenediamine.2HCl
| Molecular Formula | C6H10Cl2N2 |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.69 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.02211 |
| Heavy Atoms | 10 |
| Complexity | 64.0 |
| Solubility | Freely soluble in water; soluble in alcohol |
Chemical Identifiers
| CAS Number | 541-69-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N)N.Cl.Cl |
| InChIKey | SVTOYMIYCMHPIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
M-phenylenediamine dihydrochloride (CAS 541-69-5), with molecular formula C6H10Cl2N2 and molecular weight 180.02 g/mol. IUPAC: benzene-1,3-diamine;dihydrochloride.
Chemical Property Profile of M-phenylenediamine dihydrochloride
Property Insights of M-phenylenediamine dihydrochloride
The XLogP value of 1.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for M-phenylenediamine dihydrochloride. With a topological polar surface area (TPSA) of 52.0 Ų, M-phenylenediamine dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, M-phenylenediamine dihydrochloride has 4 hydrogen bond donor(s) and 2 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 M-phenylenediamine dihydrochloride?
The CAS number of M-phenylenediamine dihydrochloride is 541-69-5.
What is the molecular formula of M-phenylenediamine dihydrochloride?
The molecular formula of M-phenylenediamine dihydrochloride is C6H10Cl2N2.
What is the molecular weight of M-phenylenediamine dihydrochloride?
The molecular weight of M-phenylenediamine dihydrochloride is 180.02 g/mol.
Where can I buy M-phenylenediamine dihydrochloride?
You can request a quote for M-phenylenediamine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for M-phenylenediamine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for M-phenylenediamine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.