N1,N1-Diethylbenzene-1,3-diamine
TL;DR: N1,N1-Diethylbenzene-1,3-diamine (CAS 26513-20-2) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N,3-N-diethylbenzene-1,3-diamine
Also Known As: N1,N1-Diethylbenzene-1,3-diamine, m-diethylaminoaniline, 3-(n,n-dimethylamino)aniline, 1,3-Benzenediamine, N1,N1-diethyl-, 3-Amino-N,N-diethylaniline
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 26513-20-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=CC(=C1)N |
| InChIKey | KFSNHOUZAIGMAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1,N1-Diethylbenzene-1,3-diamine (CAS 26513-20-2), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 3-N,3-N-diethylbenzene-1,3-diamine.
Chemical Property Profile of N1,N1-Diethylbenzene-1,3-diamine
Property Insights of N1,N1-Diethylbenzene-1,3-diamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N1-Diethylbenzene-1,3-diamine. With a topological polar surface area (TPSA) of 29.3 Ų, N1,N1-Diethylbenzene-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1,N1-Diethylbenzene-1,3-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-Diethylbenzene-1,3-diamine?
The CAS number of N1,N1-Diethylbenzene-1,3-diamine is 26513-20-2.
What is the molecular formula of N1,N1-Diethylbenzene-1,3-diamine?
The molecular formula of N1,N1-Diethylbenzene-1,3-diamine is C10H16N2.
What is the molecular weight of N1,N1-Diethylbenzene-1,3-diamine?
The molecular weight of N1,N1-Diethylbenzene-1,3-diamine is 164.13 g/mol.
Where can I buy N1,N1-Diethylbenzene-1,3-diamine?
You can request a quote for N1,N1-Diethylbenzene-1,3-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-Diethylbenzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N1,N1-Diethylbenzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.