N-Methyl-2,2'-diaminodiethylamine
TL;DR: N-Methyl-2,2'-diaminodiethylamine (CAS 4097-88-5) is a chemical compound with molecular formula C5H15N3 and molecular weight 117.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-aminoethyl)-N'-methylethane-1,2-diamine
Also Known As: 2,2'-Diamino-N-methyldiethylamine, N-Methyl-2,2'-diaminodiethylamine, 4-Methyldiethylenetriamine, bis(2-aminoethyl)(methyl)amine, N-(2-Aminoethyl)-N-methylethylenediamine
| Molecular Formula | C5H15N3 |
|---|---|
| Molecular Weight | 117.13 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 117.126595 |
| Heavy Atoms | 8 |
| Complexity | 40.0 |
Chemical Identifiers
| CAS Number | 4097-88-5 |
|---|---|
| SMILES | CN(CCN)CCN |
| InChIKey | HYSQEYLBJYFNMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-2,2'-diaminodiethylamine (CAS 4097-88-5), with molecular formula C5H15N3 and molecular weight 117.13 g/mol. IUPAC: N'-(2-aminoethyl)-N'-methylethane-1,2-diamine.
Chemical Property Profile of N-Methyl-2,2'-diaminodiethylamine
Property Insights of N-Methyl-2,2'-diaminodiethylamine
The XLogP value of -1.4 indicates that N-Methyl-2,2'-diaminodiethylamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.3 Ų, N-Methyl-2,2'-diaminodiethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-2,2'-diaminodiethylamine has 2 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 N-Methyl-2,2'-diaminodiethylamine?
The CAS number of N-Methyl-2,2'-diaminodiethylamine is 4097-88-5.
What is the molecular formula of N-Methyl-2,2'-diaminodiethylamine?
The molecular formula of N-Methyl-2,2'-diaminodiethylamine is C5H15N3.
What is the molecular weight of N-Methyl-2,2'-diaminodiethylamine?
The molecular weight of N-Methyl-2,2'-diaminodiethylamine is 117.13 g/mol.
Where can I buy N-Methyl-2,2'-diaminodiethylamine?
You can request a quote for N-Methyl-2,2'-diaminodiethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-2,2'-diaminodiethylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-2,2'-diaminodiethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.