(3-Aminobenzyl)diethylamine
TL;DR: (3-Aminobenzyl)diethylamine (CAS 27958-97-0) is a chemical compound with molecular formula C11H18N2 and molecular weight 178.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylaminomethyl)aniline
Also Known As: (3-Aminobenzyl)diethylamine, 3-((Diethylamino)methyl)aniline, 3-(diethylaminomethyl)aniline, 3-[(diethylamino)methyl]aniline, N-(3-aminobenzyl)-N,N-diethylamine
| Molecular Formula | C11H18N2 |
|---|---|
| Molecular Weight | 178.15 g/mol |
| LogP | 2.1106 |
| Topological Polar Surface Area | 29.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.147 |
| Heavy Atoms | 13 |
| Complexity | 254.02213 |
Chemical Identifiers
| CAS Number | 27958-97-0 |
|---|---|
| SMILES | CCN(CC)CC1=CC(=CC=C1)N |
Product Overview
(3-Aminobenzyl)diethylamine (CAS 27958-97-0), with molecular formula C11H18N2 and molecular weight 178.15 g/mol. IUPAC: 3-(diethylaminomethyl)aniline.
Chemical Property Profile of (3-Aminobenzyl)diethylamine
Property Insights of (3-Aminobenzyl)diethylamine
The XLogP value of 2.1106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Aminobenzyl)diethylamine. With a topological polar surface area (TPSA) of 29.26 Ų, (3-Aminobenzyl)diethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Aminobenzyl)diethylamine 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 (3-Aminobenzyl)diethylamine?
The CAS number of (3-Aminobenzyl)diethylamine is 27958-97-0.
What is the molecular formula of (3-Aminobenzyl)diethylamine?
The molecular formula of (3-Aminobenzyl)diethylamine is C11H18N2.
What is the molecular weight of (3-Aminobenzyl)diethylamine?
The molecular weight of (3-Aminobenzyl)diethylamine is 178.15 g/mol.
Where can I buy (3-Aminobenzyl)diethylamine?
You can request a quote for (3-Aminobenzyl)diethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Aminobenzyl)diethylamine?
Yes, KEHONG BIO provides custom synthesis services for (3-Aminobenzyl)diethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.