2-Methylbenzene-1,3,5-triamine trihydrochloride
TL;DR: 2-Methylbenzene-1,3,5-triamine trihydrochloride (CAS 634-87-7) is a chemical compound with molecular formula C7H14Cl3N3 and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbenzene-1,3,5-triamine;trihydrochloride
Also Known As: 2-methylbenzene-1,3,5-triamine trihydrochloride, 2,4,6-triaminotoluene trihydrochloride, 2,4,6-Triaminopimelinsaeure, 2,4,6-Toluenetriamine trihydrochloride, 2-Methylbenzene-1,3,5-triaminetrihydrochloride
| Molecular Formula | C7H14Cl3N3 |
|---|---|
| Molecular Weight | 245.03 g/mol |
| LogP | 2.00702 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.02533 |
| Heavy Atoms | 13 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 634-87-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1N)N)N.Cl.Cl.Cl |
| InChIKey | ROFCYGFJWHTQIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbenzene-1,3,5-triamine trihydrochloride (CAS 634-87-7), with molecular formula C7H14Cl3N3 and molecular weight 245.03 g/mol. IUPAC: 2-methylbenzene-1,3,5-triamine;trihydrochloride.
Chemical Property Profile of 2-Methylbenzene-1,3,5-triamine trihydrochloride
Property Insights of 2-Methylbenzene-1,3,5-triamine trihydrochloride
The XLogP value of 2.00702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbenzene-1,3,5-triamine trihydrochloride. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylbenzene-1,3,5-triamine trihydrochloride. Following Lipinski's Rule of Five, 2-Methylbenzene-1,3,5-triamine trihydrochloride has 6 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methylbenzene-1,3,5-triamine trihydrochloride?
The CAS number of 2-Methylbenzene-1,3,5-triamine trihydrochloride is 634-87-7.
What is the molecular formula of 2-Methylbenzene-1,3,5-triamine trihydrochloride?
The molecular formula of 2-Methylbenzene-1,3,5-triamine trihydrochloride is C7H14Cl3N3.
What is the molecular weight of 2-Methylbenzene-1,3,5-triamine trihydrochloride?
The molecular weight of 2-Methylbenzene-1,3,5-triamine trihydrochloride is 245.03 g/mol.
Where can I buy 2-Methylbenzene-1,3,5-triamine trihydrochloride?
You can request a quote for 2-Methylbenzene-1,3,5-triamine trihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbenzene-1,3,5-triamine trihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbenzene-1,3,5-triamine trihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.