(1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine
TL;DR: (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine (CAS 76123-47-2) is a chemical compound with molecular formula C11H16N4 and molecular weight 204.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-N-ethylethanamine
Also Known As: starbld0049357, (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine, N-diethylaminomethylbenzotriazole, Benzotriazol-1-ylmethyl-diethyl-amine, N-(benzotriazol-1-ylmethyl)-N-ethylethanamine
| Molecular Formula | C11H16N4 |
|---|---|
| Molecular Weight | 204.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.1375 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 76123-47-2 |
|---|---|
| SMILES | CCN(CC)CN1C2=CC=CC=C2N=N1 |
| InChIKey | QCBPLHSUOPIPBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine (CAS 76123-47-2), with molecular formula C11H16N4 and molecular weight 204.14 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-N-ethylethanamine.
Chemical Property Profile of (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine
Property Insights of (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine. With a topological polar surface area (TPSA) of 34.0 Ų, (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine has 0 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 (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine?
The CAS number of (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine is 76123-47-2.
What is the molecular formula of (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine?
The molecular formula of (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine is C11H16N4.
What is the molecular weight of (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine?
The molecular weight of (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine is 204.14 g/mol.
Where can I buy (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine?
You can request a quote for (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine?
Yes, KEHONG BIO provides custom synthesis services for (1H-1,2,3-Benzotriazol-1-ylmethyl)diethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.