1-苄基二乙烯三胺
TL;DR: 1-苄基二乙烯三胺 (CAS 39549-34-3) is a chemical compound with molecular formula C11H19N3 and molecular weight 193.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苄基二乙烯三胺
N'-[2-(benzylamino)ethyl]ethane-1,2-diamine
Also Known As: 1-Benzyldiethylenetriamine, DIETHYLENETRIAMINE, 1-BENZYL-, benzyl-diethylenetriamine, C(NCCNCCN)c1ccccc1, 1-Benzyl-1,4,7-triazaheptane
| Molecular Formula | C11H19N3 |
|---|---|
| Molecular Weight | 193.16 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 193.1579 |
| Heavy Atoms | 14 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 39549-34-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCNCCN |
| InChIKey | IZBVZYNGZBUGAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苄基二乙烯三胺 (CAS 39549-34-3), with molecular formula C11H19N3 and molecular weight 193.16 g/mol. IUPAC: N'-[2-(benzylamino)ethyl]ethane-1,2-diamine.
Chemical Property Profile of 1-苄基二乙烯三胺
Property Insights of 1-苄基二乙烯三胺
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-苄基二乙烯三胺. With a topological polar surface area (TPSA) of 50.1 Ų, 1-苄基二乙烯三胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苄基二乙烯三胺 has 3 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 1-苄基二乙烯三胺?
The CAS number of 1-苄基二乙烯三胺 is 39549-34-3.
What is the molecular formula of 1-苄基二乙烯三胺?
The molecular formula of 1-苄基二乙烯三胺 is C11H19N3.
What is the molecular weight of 1-苄基二乙烯三胺?
The molecular weight of 1-苄基二乙烯三胺 is 193.16 g/mol.
Where can I buy 1-苄基二乙烯三胺?
You can request a quote for 1-苄基二乙烯三胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苄基二乙烯三胺?
Yes, KEHONG BIO provides custom synthesis services for 1-苄基二乙烯三胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.