N4,N4-dimethylbenzene-1,2,4-triamine
TL;DR: N4,N4-dimethylbenzene-1,2,4-triamine (CAS 85545-58-0) is a chemical compound with molecular formula C8H13N3 and molecular weight 151.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-dimethylbenzene-1,2,4-triamine
Also Known As: N4,N4-dimethylbenzene-1,2,4-triamine, 1,2,4-Benzenetriamine, N4,N4-dimethyl-, 2-amino-4-(dimethylamino)aniline, 4-Dimethylamino-1,2-phenylendiamin, 4-N,4-N-dimethylbenzene-1,2,4-triamine
| Molecular Formula | C8H13N3 |
|---|---|
| Molecular Weight | 151.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.11095 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 85545-58-0 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)N)N |
| InChIKey | AEPYIICGYIUTCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N4,N4-dimethylbenzene-1,2,4-triamine (CAS 85545-58-0), with molecular formula C8H13N3 and molecular weight 151.11 g/mol. IUPAC: 4-N,4-N-dimethylbenzene-1,2,4-triamine.
Chemical Property Profile of N4,N4-dimethylbenzene-1,2,4-triamine
Property Insights of N4,N4-dimethylbenzene-1,2,4-triamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4,N4-dimethylbenzene-1,2,4-triamine. With a topological polar surface area (TPSA) of 55.3 Ų, N4,N4-dimethylbenzene-1,2,4-triamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N4,N4-dimethylbenzene-1,2,4-triamine has 2 hydrogen bond donor(s) and 3 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 N4,N4-dimethylbenzene-1,2,4-triamine?
The CAS number of N4,N4-dimethylbenzene-1,2,4-triamine is 85545-58-0.
What is the molecular formula of N4,N4-dimethylbenzene-1,2,4-triamine?
The molecular formula of N4,N4-dimethylbenzene-1,2,4-triamine is C8H13N3.
What is the molecular weight of N4,N4-dimethylbenzene-1,2,4-triamine?
The molecular weight of N4,N4-dimethylbenzene-1,2,4-triamine is 151.11 g/mol.
Where can I buy N4,N4-dimethylbenzene-1,2,4-triamine?
You can request a quote for N4,N4-dimethylbenzene-1,2,4-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4,N4-dimethylbenzene-1,2,4-triamine?
Yes, KEHONG BIO provides custom synthesis services for N4,N4-dimethylbenzene-1,2,4-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.