2,3-Diaminotoluene
TL;DR: 2,3-Diaminotoluene (CAS 2687-25-4) is a chemical compound with molecular formula C7H10N2 and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbenzene-1,2-diamine
Also Known As: 2,3-DIAMINOTOLUENE, 3-methylbenzene-1,2-diamine, Toluene-2,3-diamine, 3-Methyl-o-phenylenediamine, 2,3-Tolylenediamine
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.0844 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
| Melting Point | 63.5 °C |
| Boiling Point | 255 °C |
| Solubility | Very soluble in acetone, benzene, ethanol |
| Vapor Pressure | 0.000553 [mmHg] |
Chemical Identifiers
| CAS Number | 2687-25-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N)N |
| InChIKey | AXNUJYHFQHQZBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Diaminotoluene (CAS 2687-25-4), with molecular formula C7H10N2 and molecular weight 122.08 g/mol. IUPAC: 3-methylbenzene-1,2-diamine.
Chemical Property Profile of 2,3-Diaminotoluene
Property Insights of 2,3-Diaminotoluene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diaminotoluene. With a topological polar surface area (TPSA) of 52.0 Ų, 2,3-Diaminotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diaminotoluene has 2 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 2,3-Diaminotoluene?
The CAS number of 2,3-Diaminotoluene is 2687-25-4.
What is the molecular formula of 2,3-Diaminotoluene?
The molecular formula of 2,3-Diaminotoluene is C7H10N2.
What is the molecular weight of 2,3-Diaminotoluene?
The molecular weight of 2,3-Diaminotoluene is 122.08 g/mol.
Where can I buy 2,3-Diaminotoluene?
You can request a quote for 2,3-Diaminotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diaminotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diaminotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.