2,4-甲苯二胺
TL;DR: 2,4-甲苯二胺 (CAS 95-80-7) 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.
2,4-甲苯二胺
4-methylbenzene-1,3-diamine
Also Known As: 2,4-Diaminotoluene, 2,4-Toluenediamine, 4-methylbenzene-1,3-diamine, Developer mtd, m-Toluenediamine
| Molecular Formula | C7H10N2 |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | 0.1 |
| 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 | 98.9 °C |
| Boiling Point | 292.2 °C at 760 mmHg |
| Density | 1.045 at 100.0 °C |
| Solubility | 1 to 5 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 148.9 °C |
| Vapor Pressure | 1 mmHg at 106.5 °C ; 10 mmHg at 151.7 °C |
Chemical Identifiers
| CAS Number | 95-80-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)N |
| InChIKey | VOZKAJLKRJDJLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-甲苯二胺 (CAS 95-80-7), with molecular formula C7H10N2 and molecular weight 122.08 g/mol. IUPAC: 4-methylbenzene-1,3-diamine.
Chemical Property Profile of 2,4-甲苯二胺
Property Insights of 2,4-甲苯二胺
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-甲苯二胺. With a topological polar surface area (TPSA) of 52.0 Ų, 2,4-甲苯二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-甲苯二胺 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 2,4-甲苯二胺?
The CAS number of 2,4-甲苯二胺 is 95-80-7.
What is the molecular formula of 2,4-甲苯二胺?
The molecular formula of 2,4-甲苯二胺 is C7H10N2.
What is the molecular weight of 2,4-甲苯二胺?
The molecular weight of 2,4-甲苯二胺 is 122.08 g/mol.
Where can I buy 2,4-甲苯二胺?
You can request a quote for 2,4-甲苯二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-甲苯二胺?
Yes, KEHONG BIO provides custom synthesis services for 2,4-甲苯二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.