N1,N1,N2-trimethylbenzene-1,2-diamine
TL;DR: N1,N1,N2-trimethylbenzene-1,2-diamine (CAS 2427-03-4) is a chemical compound with molecular formula C9H14N2 and molecular weight 150.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
Also Known As: trimethylphenylenediamine, N,N,N'-Trimethyl-o-phenylenediamine, N1,N1,N2-trimethylbenzene-1,2-diamine, 1,2-Benzenediamine, N,N,N'-trimethyl-, 1-N,1-N,2-N-trimethylbenzene-1,2-diamine
| Molecular Formula | C9H14N2 |
|---|---|
| Molecular Weight | 150.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.11569 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 2427-03-4 |
|---|---|
| SMILES | CNC1=CC=CC=C1N(C)C |
| InChIKey | BXBFTMKSQSKHMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1,N1,N2-trimethylbenzene-1,2-diamine (CAS 2427-03-4), with molecular formula C9H14N2 and molecular weight 150.12 g/mol. IUPAC: 1-N,2-N,2-N-trimethylbenzene-1,2-diamine.
Chemical Property Profile of N1,N1,N2-trimethylbenzene-1,2-diamine
Property Insights of N1,N1,N2-trimethylbenzene-1,2-diamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N1,N2-trimethylbenzene-1,2-diamine. With a topological polar surface area (TPSA) of 15.3 Ų, N1,N1,N2-trimethylbenzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1,N1,N2-trimethylbenzene-1,2-diamine has 1 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 N1,N1,N2-trimethylbenzene-1,2-diamine?
The CAS number of N1,N1,N2-trimethylbenzene-1,2-diamine is 2427-03-4.
What is the molecular formula of N1,N1,N2-trimethylbenzene-1,2-diamine?
The molecular formula of N1,N1,N2-trimethylbenzene-1,2-diamine is C9H14N2.
What is the molecular weight of N1,N1,N2-trimethylbenzene-1,2-diamine?
The molecular weight of N1,N1,N2-trimethylbenzene-1,2-diamine is 150.12 g/mol.
Where can I buy N1,N1,N2-trimethylbenzene-1,2-diamine?
You can request a quote for N1,N1,N2-trimethylbenzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1,N1,N2-trimethylbenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1,N1,N2-trimethylbenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.