1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)
TL;DR: 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) (CAS 5395-70-0) is a chemical compound with molecular formula C7H12Cl2N2 and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-methylbenzene-1,4-diamine;dihydrochloride
Also Known As: N1-Methylbenzene-1,4-diamine dihydrochloride, N-METHYL-1,4-PHENYLENEDIAMINE DIHYDROCHLORIDE, 4-Amino-N-methylaniline, N-Methyl-p-phenylenediamine dihydrochloride, Benzylhydrazine dihydrochloride
| Molecular Formula | C7H12Cl2N2 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03775 |
| Heavy Atoms | 11 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 5395-70-0 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)N.Cl.Cl |
| InChIKey | BXCWUHLEFQDLCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) (CAS 5395-70-0), with molecular formula C7H12Cl2N2 and molecular weight 194.04 g/mol. IUPAC: 4-N-methylbenzene-1,4-diamine;dihydrochloride.
Chemical Property Profile of 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)
Property Insights of 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2). With a topological polar surface area (TPSA) of 38.1 Ų, 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) 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 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)?
The CAS number of 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) is 5395-70-0.
What is the molecular formula of 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)?
The molecular formula of 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) is C7H12Cl2N2.
What is the molecular weight of 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)?
The molecular weight of 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) is 194.04 g/mol.
Where can I buy 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)?
You can request a quote for 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N1-methyl-, hydrochloride (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.