4-甲基-1,3-苯二胺二盐酸盐
TL;DR: 4-甲基-1,3-苯二胺二盐酸盐 (CAS 636-23-7) 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-甲基-1,3-苯二胺二盐酸盐
4-methylbenzene-1,3-diamine;dihydrochloride
Also Known As: 2,4-Diaminotoluene dihydrochloride, 2,4-Diaminotoluene.2HCl, Metatolylenediamine dihydrochloride, Toluene-2,4-diamine, dihydrochloride, 4-methylbenzene-1,3-diamine dihydrochloride
| Molecular Formula | C7H12Cl2N2 |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.03775 |
| Heavy Atoms | 11 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 636-23-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)N.Cl.Cl |
| InChIKey | FSSFFQIVJQERFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-1,3-苯二胺二盐酸盐 (CAS 636-23-7), with molecular formula C7H12Cl2N2 and molecular weight 194.04 g/mol. IUPAC: 4-methylbenzene-1,3-diamine;dihydrochloride.
Chemical Property Profile of 4-甲基-1,3-苯二胺二盐酸盐
Property Insights of 4-甲基-1,3-苯二胺二盐酸盐
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-1,3-苯二胺二盐酸盐. With a topological polar surface area (TPSA) of 52.0 Ų, 4-甲基-1,3-苯二胺二盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-1,3-苯二胺二盐酸盐 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 4-甲基-1,3-苯二胺二盐酸盐?
The CAS number of 4-甲基-1,3-苯二胺二盐酸盐 is 636-23-7.
What is the molecular formula of 4-甲基-1,3-苯二胺二盐酸盐?
The molecular formula of 4-甲基-1,3-苯二胺二盐酸盐 is C7H12Cl2N2.
What is the molecular weight of 4-甲基-1,3-苯二胺二盐酸盐?
The molecular weight of 4-甲基-1,3-苯二胺二盐酸盐 is 194.04 g/mol.
Where can I buy 4-甲基-1,3-苯二胺二盐酸盐?
You can request a quote for 4-甲基-1,3-苯二胺二盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-1,3-苯二胺二盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-1,3-苯二胺二盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.